2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid

C15H17N3O3 — CID 54851462

IUPAC2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
SMILESCCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-8-21-11-7-5-4-6-10(11)13-12(14(19)20)9(2)17-15(16)18-13/h4-7H,3,8H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyMVNPWDMKIXHIPU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.52
Rot. Bonds5

About 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid

2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid (PubChem CID 54851462) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
PubChem CID54851462
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
SMILESCCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-8-21-11-7-5-4-6-10(11)13-12(14(19)20)9(2)17-15(16)18-13/h4-7H,3,8H2,1-2H3,(H,19,20)(H2,16,17,18)
InChIKeyMVNPWDMKIXHIPU-UHFFFAOYSA-N
XLogP2.52
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653
2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850453
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid (CID 54851462) is 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid is CCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)O.
What is the InChIKey of 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is MVNPWDMKIXHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-8-21-11-7-5-4-6-10(11)13-12(14(19)20)9(2)17-15(16)18-13/h4-7H,3,8H2,1-2H3,(H,19,20)(H2,16,17,18).
What are the key properties of 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid?
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 54851462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).