5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid

C17H18ClN3O4 — CID 67094756

IUPAC5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CNc2nc(C3CC3)nc(C(=O)O)c2Cl)c(OC)c1
InChIInChI=1S/C17H18ClN3O4/c1-24-11-6-5-10(12(7-11)25-2)8-19-16-13(18)14(17(22)23)20-15(21-16)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeySZRJDROPGILZQB-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.33
Rot. Bonds7

About 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid

5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 67094756) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID67094756
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CNc2nc(C3CC3)nc(C(=O)O)c2Cl)c(OC)c1
InChIInChI=1S/C17H18ClN3O4/c1-24-11-6-5-10(12(7-11)25-2)8-19-16-13(18)14(17(22)23)20-15(21-16)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeySZRJDROPGILZQB-UHFFFAOYSA-N
XLogP3.33
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid with MolForge

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Related Compounds

5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
5-chloro-2-cyclopropyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 83869042
methyl 5-chloro-2-cyclopropyl-6-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carboxylate
CID 58220874
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
N-benzyl-6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxamide
CID 67094511
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
6-chloro-2-[5-[(2,4-dimethoxyphenyl)methylamino]-6-fluoropyrazin-2-yl]-3-fluoropyridine-4-carboxylic acid
CID 178093542
1-[6-(benzylamino)-5-chloro-2-cyclopropylpyrimidin-4-yl]-3-phenylpropan-1-one;methyl 6-(benzylamino)-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;methyl 5,6-dichloro-2-cyclopropylpyrimidine-4-carboxylate
CID 159364379
4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid
CID 19624826

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid (CID 67094756) is 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid is COc1ccc(CNc2nc(C3CC3)nc(C(=O)O)c2Cl)c(OC)c1.
What is the InChIKey of 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is SZRJDROPGILZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-24-11-6-5-10(12(7-11)25-2)8-19-16-13(18)14(17(22)23)20-15(21-16)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 363.80 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67094756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).