6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate

C52H60N12O11 — CID 157397380

IUPAC6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1.COC(=O)C1CCCN1C(=O)Nc1cc(-c2ccccc2OC)ncn1.COc1ccccc1-c1cc(N)ncn1.COc1ccccc1-c1cc(NC(=O)N2CCCC2C(=O)O)ncn1
InChIInChI=1S/C18H20N4O4.C17H18N4O4.C11H11N3O.C6H11NO2/c1-25-15-8-4-3-6-12(15)13-10-16(20-11-19-13)21-18(24)22-9-5-7-14(22)17(23)26-2;1-25-14-7-3-2-5-11(14)12-9-15(19-10-18-12)20-17(24)21-8-4-6-13(21)16(22)23;1-15-10-5-3-2-4-8(10)9-6-11(12)14-7-13-9;1-9-6(8)5-3-2-4-7-5/h3-4,6,8,10-11,14H,5,7,9H2,1-2H3,(H,19,20,21,24);2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,22,23)(H,18,19,20,24);2-7H,1H3,(H2,12,13,14);5,7H,2-4H2,1H3
InChIKeyBMSRLXXFNYXRNB-UHFFFAOYSA-N
MW1029.12 g/mol
LogP6.20
Rot. Bonds11

About 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate

6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate (PubChem CID 157397380) has the molecular formula C52H60N12O11 and a molecular weight of 1029.12 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate
PubChem CID157397380
Molecular FormulaC52H60N12O11
Molecular Weight1029.12 g/mol
Exact Mass1028.45
IUPAC Name6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1.COC(=O)C1CCCN1C(=O)Nc1cc(-c2ccccc2OC)ncn1.COc1ccccc1-c1cc(N)ncn1.COc1ccccc1-c1cc(NC(=O)N2CCCC2C(=O)O)ncn1
InChIInChI=1S/C18H20N4O4.C17H18N4O4.C11H11N3O.C6H11NO2/c1-25-15-8-4-3-6-12(15)13-10-16(20-11-19-13)21-18(24)22-9-5-7-14(22)17(23)26-2;1-25-14-7-3-2-5-11(14)12-9-15(19-10-18-12)20-17(24)21-8-4-6-13(21)16(22)23;1-15-10-5-3-2-4-8(10)9-6-11(12)14-7-13-9;1-9-6(8)5-3-2-4-7-5/h3-4,6,8,10-11,14H,5,7,9H2,1-2H3,(H,19,20,21,24);2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,22,23)(H,18,19,20,24);2-7H,1H3,(H2,12,13,14);5,7H,2-4H2,1H3
InChIKeyBMSRLXXFNYXRNB-UHFFFAOYSA-N
XLogP6.20
TPSA297.66 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.12
LogP ≤ 56.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate with MolForge

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Related Compounds

(2S)-2-[[1-[5-fluoro-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]piperidine-3-carbonyl]amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid
CID 60110372
3-[(4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbonyl)-amino]-propionic acid
CID 59244610
[(4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbonyl)-amino]-acetic acid
CID 59245012
2-{3-[6-(2-Methoxy-phenyl)-pyrimidin-4-yl]-ureido}-propionic acid
CID 59508958
1-[6-(2-Methoxy-phenyl)-pyrimidin-4-ylcarbamoyl]-pyrrolidine-2-carboxylic acid
CID 59509102
1-[6-(2-Methoxy-phenyl)-pyrimidin-4-ylcarbamoyl]-pyrrolidine-2-carboxylic acid methyl ester
CID 59509124
Ethyl 2-[[4-[6-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]-3-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbonyl]amino]acetate
CID 141311154
2-[[6-(2-Methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 141365931
2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxo-2-piperidin-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopiperidin-1-yl)propanamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 157128973
benzyl 3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]piperidine-1-carboxylate;methane;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide;propane
CID 157271936
Ethyl 2-aminoacetate;ethyl 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]acetate;6-(2-methoxyphenyl)pyrimidin-4-amine;2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]acetic acid
CID 157404870
3-[3-[2-(Dimethylamino)ethoxy]phenyl]-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoic acid;ethyl 3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoate
CID 157640019

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate?
The IUPAC name of 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate (CID 157397380) is 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate?
The canonical SMILES for 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate is COC(=O)C1CCCN1.COC(=O)C1CCCN1C(=O)Nc1cc(-c2ccccc2OC)ncn1.COc1ccccc1-c1cc(N)ncn1.COc1ccccc1-c1cc(NC(=O)N2CCCC2C(=O)O)ncn1.
What is the InChIKey of 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate?
The InChIKey is BMSRLXXFNYXRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4.C17H18N4O4.C11H11N3O.C6H11NO2/c1-25-15-8-4-3-6-12(15)13-10-16(20-11-19-13)21-18(24)22-9-5-7-14(22)17(23)26-2;1-25-14-7-3-2-5-11(14)12-9-15(19-10-18-12)20-17(24)21-8-4-6-13(21)16(22)23;1-15-10-5-3-2-4-8(10)9-6-11(12)14-7-13-9;1-9-6(8)5-3-2-4-7-5/h3-4,6,8,10-11,14H,5,7,9H2,1-2H3,(H,19,20,21,24);2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,22,23)(H,18,19,20,24);2-7H,1H3,(H2,12,13,14);5,7H,2-4H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate?
6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate has a molecular weight of 1029.12 g/mol, XLogP of 6.20, 11 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)pyrimidin-4-amine;1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylic acid;methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 157397380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).