6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C16H19FN4O — CID 109362419

IUPAC6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C16H19FN4O/c1-4-10(2)18-15-9-14(19-11(3)20-15)16(22)21-13-7-5-12(17)6-8-13/h5-10H,4H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyPZMMHOMCTSKDTC-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.39
Rot. Bonds5

About 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109362419) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109362419
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C16H19FN4O/c1-4-10(2)18-15-9-14(19-11(3)20-15)16(22)21-13-7-5-12(17)6-8-13/h5-10H,4H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyPZMMHOMCTSKDTC-UHFFFAOYSA-N
XLogP3.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412
6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109362417
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
CID 109362467
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
N-(3,4-difluorophenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360567
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 109362419) is 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2ccc(F)cc2)nc(C)n1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is PZMMHOMCTSKDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-4-10(2)18-15-9-14(19-11(3)20-15)16(22)21-13-7-5-12(17)6-8-13/h5-10H,4H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).