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

C14H16N4O2 — CID 54851072

IUPAC2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(OCc2nc(N)nc(C)c2C(N)=O)cc1
InChIInChI=1S/C14H16N4O2/c1-8-3-5-10(6-4-8)20-7-11-12(13(15)19)9(2)17-14(16)18-11/h3-6H,7H2,1-2H3,(H2,15,19)(H2,16,17,18)
InChIKeyZKAQSRSMCPPBHK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.35
Rot. Bonds4

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

2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide (PubChem CID 54851072) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
PubChem CID54851072
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(OCc2nc(N)nc(C)c2C(N)=O)cc1
InChIInChI=1S/C14H16N4O2/c1-8-3-5-10(6-4-8)20-7-11-12(13(15)19)9(2)17-14(16)18-11/h3-6H,7H2,1-2H3,(H2,15,19)(H2,16,17,18)
InChIKeyZKAQSRSMCPPBHK-UHFFFAOYSA-N
XLogP1.35
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850622
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54854022
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54854084
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853778
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide (CID 54851072) is 2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide is Cc1ccc(OCc2nc(N)nc(C)c2C(N)=O)cc1.
What is the InChIKey of 2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide?
The InChIKey is ZKAQSRSMCPPBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-3-5-10(6-4-8)20-7-11-12(13(15)19)9(2)17-14(16)18-11/h3-6H,7H2,1-2H3,(H2,15,19)(H2,16,17,18).
What are the key properties of 2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide?
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.35, 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-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54851072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).