N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide

C17H22N4O — CID 109263759

IUPACN-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)N(C)c2ccccc2)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-8-11-18-17-19-12-14(13-20-17)16(22)21(2)15-9-6-5-7-10-15/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,18,19,20)
InChIKeyKYUBALWCIPNMEC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.36
Rot. Bonds7

About N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide

N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide (PubChem CID 109263759) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
PubChem CID109263759
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)N(C)c2ccccc2)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-8-11-18-17-19-12-14(13-20-17)16(22)21(2)15-9-6-5-7-10-15/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,18,19,20)
InChIKeyKYUBALWCIPNMEC-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262794
2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109264652
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756
2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265869
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265884
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide
CID 109195842

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide (CID 109263759) is N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide is CCCCCNc1ncc(C(=O)N(C)c2ccccc2)cn1.
What is the InChIKey of N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is KYUBALWCIPNMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-8-11-18-17-19-12-14(13-20-17)16(22)21(2)15-9-6-5-7-10-15/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,18,19,20).
What are the key properties of N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide?
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).