2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide

C14H16N4O2 — CID 54853982

IUPAC2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccc(OC)cc1
InChIInChI=1S/C14H16N4O2/c1-8-11(13(19)16-2)12(18-14(15)17-8)9-4-6-10(20-3)7-5-9/h4-7H,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyDVNVRHIBHIZYJT-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.40
Rot. Bonds3

About 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide

2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide (PubChem CID 54853982) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
PubChem CID54853982
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccc(OC)cc1
InChIInChI=1S/C14H16N4O2/c1-8-11(13(19)16-2)12(18-14(15)17-8)9-4-6-10(20-3)7-5-9/h4-7H,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyDVNVRHIBHIZYJT-UHFFFAOYSA-N
XLogP1.40
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
CID 54850729
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
CID 54854055
2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide
CID 54851090
ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide (CID 54853982) is 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide is CNC(=O)c1c(C)nc(N)nc1-c1ccc(OC)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is DVNVRHIBHIZYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-11(13(19)16-2)12(18-14(15)17-8)9-4-6-10(20-3)7-5-9/h4-7H,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide?
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54853982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).