2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide

C16H20N4O — CID 109320503

IUPAC2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-3-4-10-17-16-18-12(2)11-14(20-16)15(21)19-13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyPAADQQHAXCGKKN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds6

About 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide

2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109320503) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109320503
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCCCNc1nc(C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-3-4-10-17-16-18-12(2)11-14(20-16)15(21)19-13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyPAADQQHAXCGKKN-UHFFFAOYSA-N
XLogP3.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333
2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320523
2-(butylamino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109320536
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320119
2-(butylamino)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320553
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine-4-carboxamide
CID 109320582
6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328129

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide (CID 109320503) is 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide is CCCCNc1nc(C)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is PAADQQHAXCGKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-4-10-17-16-18-12(2)11-14(20-16)15(21)19-13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).