4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide

C15H18N4O — CID 83567104

IUPAC4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2ccc(C)cc2)nc1N
InChIInChI=1S/C15H18N4O/c1-3-8-17-15(20)12-9-18-14(19-13(12)16)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H2,16,18,19)
InChIKeyRDQPGMXJGCWOHP-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.17
Rot. Bonds4

About 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide

4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide (PubChem CID 83567104) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
PubChem CID83567104
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2ccc(C)cc2)nc1N
InChIInChI=1S/C15H18N4O/c1-3-8-17-15(20)12-9-18-14(19-13(12)16)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H2,16,18,19)
InChIKeyRDQPGMXJGCWOHP-UHFFFAOYSA-N
XLogP2.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
CID 83567253
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 83567067
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567488
4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567494
4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567202
4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
ethyl 4-amino-2-(4-tert-butylphenyl)pyrimidine-5-carboxylate
CID 82168426

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide (CID 83567104) is 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(-c2ccc(C)cc2)nc1N.
What is the InChIKey of 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide?
The InChIKey is RDQPGMXJGCWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-8-17-15(20)12-9-18-14(19-13(12)16)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H2,16,18,19).
What are the key properties of 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide?
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).