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

C45H52N12O11 — CID 157404870

IUPACethyl 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
SMILESCCOC(=O)CN.CCOC(=O)CNC(=O)Nc1cc(-c2ccccc2OC)ncn1.COc1ccccc1-c1cc(N)ncn1.COc1ccccc1-c1cc(NC(=O)NCC(=O)O)ncn1
InChIInChI=1S/C16H18N4O4.C14H14N4O4.C11H11N3O.C4H9NO2/c1-3-24-15(21)9-17-16(22)20-14-8-12(18-10-19-14)11-6-4-5-7-13(11)23-2;1-22-11-5-3-2-4-9(11)10-6-12(17-8-16-10)18-14(21)15-7-13(19)20;1-15-10-5-3-2-4-8(10)9-6-11(12)14-7-13-9;1-2-7-4(6)3-5/h4-8,10H,3,9H2,1-2H3,(H2,17,18,19,20,22);2-6,8H,7H2,1H3,(H,19,20)(H2,15,16,17,18,21);2-7H,1H3,(H2,12,13,14);2-3,5H2,1H3
InChIKeyBNPJGSBCQOAGAR-UHFFFAOYSA-N
MW936.98 g/mol
LogP4.44
Rot. Bonds15

About 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

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 (PubChem CID 157404870) has the molecular formula C45H52N12O11 and a molecular weight of 936.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID157404870
Molecular FormulaC45H52N12O11
Molecular Weight936.98 g/mol
Exact Mass936.39
IUPAC Nameethyl 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
SMILESCCOC(=O)CN.CCOC(=O)CNC(=O)Nc1cc(-c2ccccc2OC)ncn1.COc1ccccc1-c1cc(N)ncn1.COc1ccccc1-c1cc(NC(=O)NCC(=O)O)ncn1
InChIInChI=1S/C16H18N4O4.C14H14N4O4.C11H11N3O.C4H9NO2/c1-3-24-15(21)9-17-16(22)20-14-8-12(18-10-19-14)11-6-4-5-7-13(11)23-2;1-22-11-5-3-2-4-9(11)10-6-12(17-8-16-10)18-14(21)15-7-13(19)20;1-15-10-5-3-2-4-8(10)9-6-11(12)14-7-13-9;1-2-7-4(6)3-5/h4-8,10H,3,9H2,1-2H3,(H2,17,18,19,20,22);2-6,8H,7H2,1H3,(H,19,20)(H2,15,16,17,18,21);2-7H,1H3,(H2,12,13,14);2-3,5H2,1H3
InChIKeyBNPJGSBCQOAGAR-UHFFFAOYSA-N
XLogP4.44
TPSA329.23 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.98
LogP ≤ 54.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

N-benzyl-2-[4-[2-[2-[[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-oxoethoxy]acetyl]piperazin-1-yl]acetamide
CID 166634579
(2S)-4-[2-phenoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(6-phenylpyrimidin-4-yl)amino]butanoic acid
CID 139464186
N-benzyl-2-[[2-[2-[[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-oxoethoxy]acetyl]-methylamino]acetamide
CID 166630930
2-[4-[2-[2-[[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-oxoethoxy]acetyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 166636177
4-[6-(5-Fluoro-2-methoxy-phenyl)-pyrimidin-4-ylcarbamoyl]-piperidine-1-carboxylic acid benzyl ester
CID 59509020
2-(4-benzylpiperazin-1-yl)-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 59509039
4-[6-(4-Fluoro-2-methoxy-phenyl)-pyrimidin-4-ylcarbamoyl]-piperidine-1-carboxylic acid benzyl ester
CID 59509107
(2S)-3-[3-(2-morpholin-4-ylethoxy)phenyl]-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoic acid
CID 10415261
Tert-butyl 2-[4-[[2-methoxy-5-[[4-[6-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]methyl]piperazin-1-yl]acetate
CID 58102526
17-Methoxy-20-methyl-5-morpholin-4-yl-1,8,10,20,24,27,33-heptazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3(34),4,6,9,11,13(33),14(32),15,17-nonaen-25-one
CID 58102579
2-[4-[[2-Methoxy-5-[[4-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]methyl]piperazin-1-yl]acetic acid
CID 58102597
2-[4-[[5-[[4-[3-[(3-Aminopropylamino)methyl]-4-methoxyphenyl]pyrimidin-2-yl]methyl]-2-morpholin-4-ylphenyl]methyl]piperazin-1-yl]acetic acid
CID 58102637

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)CN.CCOC(=O)CNC(=O)Nc1cc(-c2ccccc2OC)ncn1.COc1ccccc1-c1cc(N)ncn1.COc1ccccc1-c1cc(NC(=O)NCC(=O)O)ncn1.
What is the InChIKey of 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?
The InChIKey is BNPJGSBCQOAGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4.C14H14N4O4.C11H11N3O.C4H9NO2/c1-3-24-15(21)9-17-16(22)20-14-8-12(18-10-19-14)11-6-4-5-7-13(11)23-2;1-22-11-5-3-2-4-9(11)10-6-12(17-8-16-10)18-14(21)15-7-13(19)20;1-15-10-5-3-2-4-8(10)9-6-11(12)14-7-13-9;1-2-7-4(6)3-5/h4-8,10H,3,9H2,1-2H3,(H2,17,18,19,20,22);2-6,8H,7H2,1H3,(H,19,20)(H2,15,16,17,18,21);2-7H,1H3,(H2,12,13,14);2-3,5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 936.98 g/mol, XLogP of 4.44, 15 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157404870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).