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

C14H16N4O4 — CID 139327511

IUPAC5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CNc2ncnc(C(=O)O)c2N)c(OC)c1
InChIInChI=1S/C14H16N4O4/c1-21-9-4-3-8(10(5-9)22-2)6-16-13-11(15)12(14(19)20)17-7-18-13/h3-5,7H,6,15H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyVSJOJSIIWXVZAM-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.39
Rot. Bonds6

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

5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 139327511) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID139327511
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CNc2ncnc(C(=O)O)c2N)c(OC)c1
InChIInChI=1S/C14H16N4O4/c1-21-9-4-3-8(10(5-9)22-2)6-16-13-11(15)12(14(19)20)17-7-18-13/h3-5,7H,6,15H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyVSJOJSIIWXVZAM-UHFFFAOYSA-N
XLogP1.39
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
5-chloro-2-cyclopropyl-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 67094756
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid
CID 19624826
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid (CID 139327511) is 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid is COc1ccc(CNc2ncnc(C(=O)O)c2N)c(OC)c1.
What is the InChIKey of 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is VSJOJSIIWXVZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-21-9-4-3-8(10(5-9)22-2)6-16-13-11(15)12(14(19)20)17-7-18-13/h3-5,7H,6,15H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 139327511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).