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

C13H14N4O — CID 116647848

IUPAC4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1Cc1ncc(C(N)=O)c(N)n1
InChIInChI=1S/C13H14N4O/c1-8-4-2-3-5-9(8)6-11-16-7-10(13(15)18)12(14)17-11/h2-5,7H,6H2,1H3,(H2,15,18)(H2,14,16,17)
InChIKeyWEUGFHWBNRNBNY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.06
Rot. Bonds3

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

4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 116647848) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID116647848
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1Cc1ncc(C(N)=O)c(N)n1
InChIInChI=1S/C13H14N4O/c1-8-4-2-3-5-9(8)6-11-16-7-10(13(15)18)12(14)17-11/h2-5,7H,6H2,1H3,(H2,15,18)(H2,14,16,17)
InChIKeyWEUGFHWBNRNBNY-UHFFFAOYSA-N
XLogP1.06
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 116647848) is 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1ccccc1Cc1ncc(C(N)=O)c(N)n1.
What is the InChIKey of 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is WEUGFHWBNRNBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-4-2-3-5-9(8)6-11-16-7-10(13(15)18)12(14)17-11/h2-5,7H,6H2,1H3,(H2,15,18)(H2,14,16,17).
What are the key properties of 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 116647848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).