N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide

C16H20N4O — CID 109297361

IUPACN-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C16H20N4O/c1-4-12(3)18-15(21)14-9-10-17-16(20-14)19-13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyUDHKSXSHLDPEKF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds5

About N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide

N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109297361) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109297361
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C16H20N4O/c1-4-12(3)18-15(21)14-9-10-17-16(20-14)19-13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyUDHKSXSHLDPEKF-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109297372
methyl 4-[[4-(butan-2-ylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297417
N-butan-2-yl-2-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109297451
2-(4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312095
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
2-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109297102
N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109297406
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314145

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide (CID 109297361) is N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(Nc2ccc(C)cc2)n1.
What is the InChIKey of N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is UDHKSXSHLDPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-12(3)18-15(21)14-9-10-17-16(20-14)19-13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).