2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide

C16H20N4O — CID 109297170

IUPAC2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-4-12(2)18-16-17-11-10-14(19-16)15(21)20(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,17,18,19)
InChIKeySXDXIGCSQAUUOI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.96
Rot. Bonds5

About 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide

2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109297170) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109297170
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-4-12(2)18-16-17-11-10-14(19-16)15(21)20(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,17,18,19)
InChIKeySXDXIGCSQAUUOI-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
2-(butan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109297091
N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313994
ethyl 2-[[4-[methyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314366
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
2-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109308221
[2-(butan-2-ylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109297095
2-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109297102
N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314355
N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295192
N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109297362

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109297170) is 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide is CCC(C)Nc1nccc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is SXDXIGCSQAUUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-12(2)18-16-17-11-10-14(19-16)15(21)20(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109297170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).