2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide

C15H18N4O2 — CID 54850894

IUPAC2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
SMILESCc1cccc(OC(C)c2nc(N)nc(C)c2C(N)=O)c1
InChIInChI=1S/C15H18N4O2/c1-8-5-4-6-11(7-8)21-10(3)13-12(14(16)20)9(2)18-15(17)19-13/h4-7,10H,1-3H3,(H2,16,20)(H2,17,18,19)
InChIKeyGKCUNWXCQSPVTR-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide

2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide (PubChem CID 54850894) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
PubChem CID54850894
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
SMILESCc1cccc(OC(C)c2nc(N)nc(C)c2C(N)=O)c1
InChIInChI=1S/C15H18N4O2/c1-8-5-4-6-11(7-8)21-10(3)13-12(14(16)20)9(2)18-15(17)19-13/h4-7,10H,1-3H3,(H2,16,20)(H2,17,18,19)
InChIKeyGKCUNWXCQSPVTR-UHFFFAOYSA-N
XLogP1.91
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
CID 54851451
2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851756
2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851712
2-amino-4-[1-(2,6-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853773
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-N,N-diethyl-4-methyl-6-[1-(4-nitrophenoxy)ethyl]pyrimidine-5-carboxamide
CID 54853639
dimethyl 2-(3-methylphenoxy)propanedioate
CID 94687292
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994
2-(3-methylphenoxy)propanehydrazide
CID 3021693
N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide
CID 112550466

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide (CID 54850894) is 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide is Cc1cccc(OC(C)c2nc(N)nc(C)c2C(N)=O)c1.
What is the InChIKey of 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide?
The InChIKey is GKCUNWXCQSPVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-8-5-4-6-11(7-8)21-10(3)13-12(14(16)20)9(2)18-15(17)19-13/h4-7,10H,1-3H3,(H2,16,20)(H2,17,18,19).
What are the key properties of 2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide?
2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.91, 4 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-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54850894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).