N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide

C18H24N4O — CID 109263537

IUPACN-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(NCCC(C)C)nc1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-4-22(16-8-6-5-7-9-16)17(23)15-12-20-18(21-13-15)19-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,20,21)
InChIKeyUHFLOPHFHCLQIR-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.60
Rot. Bonds7

About N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide

N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide (PubChem CID 109263537) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
PubChem CID109263537
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(NCCC(C)C)nc1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-4-22(16-8-6-5-7-9-16)17(23)15-12-20-18(21-13-15)19-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,20,21)
InChIKeyUHFLOPHFHCLQIR-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161223
2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109266763
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267626
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide (CID 109263537) is N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(NCCC(C)C)nc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is UHFLOPHFHCLQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22(16-8-6-5-7-9-16)17(23)15-12-20-18(21-13-15)19-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide?
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).