2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide

C15H18N4O — CID 109248518

IUPAC2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C15H18N4O/c1-11(2)8-16-14(20)12-9-17-15(18-10-12)19-13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyVRBDAGHQHGSKIP-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.61
Rot. Bonds5

About 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 109248518) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID109248518
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C15H18N4O/c1-11(2)8-16-14(20)12-9-17-15(18-10-12)19-13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyVRBDAGHQHGSKIP-UHFFFAOYSA-N
XLogP2.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455
2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248556
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 74237551
2-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248596
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248539
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide
CID 74246836
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 109248518) is 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is VRBDAGHQHGSKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(2)8-16-14(20)12-9-17-15(18-10-12)19-13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).