2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide

C15H18N4O2 — CID 54852313

IUPAC2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
SMILESCCCOc1ccccc1-c1cc(C(=O)NC)nc(N)n1
InChIInChI=1S/C15H18N4O2/c1-3-8-21-13-7-5-4-6-10(13)11-9-12(14(20)17-2)19-15(16)18-11/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H2,16,18,19)
InChIKeyBRTBHYLBUVCUJR-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.87
Rot. Bonds5

About 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide

2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 54852313) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
PubChem CID54852313
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
SMILESCCCOc1ccccc1-c1cc(C(=O)NC)nc(N)n1
InChIInChI=1S/C15H18N4O2/c1-3-8-21-13-7-5-4-6-10(13)11-9-12(14(20)17-2)19-15(16)18-11/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H2,16,18,19)
InChIKeyBRTBHYLBUVCUJR-UHFFFAOYSA-N
XLogP1.87
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
CID 54851651
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
ethyl 2-amino-6-[2-(2-methylprop-2-enoxy)phenyl]pyrimidine-4-carboxylate
CID 54850288
2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
CID 54853940
2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
CID 54852211
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
CID 54854055
4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567296
2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520953
2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
CID 54853938

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide (CID 54852313) is 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide is CCCOc1ccccc1-c1cc(C(=O)NC)nc(N)n1.
What is the InChIKey of 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is BRTBHYLBUVCUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-8-21-13-7-5-4-6-10(13)11-9-12(14(20)17-2)19-15(16)18-11/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H2,16,18,19).
What are the key properties of 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide?
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54852313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).