2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide

C17H22N4O — CID 109246574

IUPAC2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C17H22N4O/c1-4-9-18-16(22)14-10-19-17(20-11-14)21-15-7-5-13(6-8-15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyZNTQNSSJWWOZDY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide

2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide (PubChem CID 109246574) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
PubChem CID109246574
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C17H22N4O/c1-4-9-18-16(22)14-10-19-17(20-11-14)21-15-7-5-13(6-8-15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyZNTQNSSJWWOZDY-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
CID 109246599
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109253107
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109255870
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822
2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263653
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267979
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
N-butyl-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109248164

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide (CID 109246574) is 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)nc1.
What is the InChIKey of 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide?
The InChIKey is ZNTQNSSJWWOZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-9-18-16(22)14-10-19-17(20-11-14)21-15-7-5-13(6-8-15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide?
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).