N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide

C18H24N4O — CID 109362029

IUPACN-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCC(C)C)nc(C)n1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-5-22(15-9-7-6-8-10-15)18(23)16-11-17(19-12-13(2)3)21-14(4)20-16/h6-11,13H,5,12H2,1-4H3,(H,19,20,21)
InChIKeyPFQVTNGRUIRGCU-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.52
Rot. Bonds6

About N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide

N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109362029) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109362029
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCC(C)C)nc(C)n1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-5-22(15-9-7-6-8-10-15)18(23)16-11-17(19-12-13(2)3)21-14(4)20-16/h6-11,13H,5,12H2,1-4H3,(H,19,20,21)
InChIKeyPFQVTNGRUIRGCU-UHFFFAOYSA-N
XLogP3.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362083
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109364480
6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849535
N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851537
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849522
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940
6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
CID 112854288

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide (CID 109362029) is N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(NCC(C)C)nc(C)n1)c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is PFQVTNGRUIRGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-22(15-9-7-6-8-10-15)18(23)16-11-17(19-12-13(2)3)21-14(4)20-16/h6-11,13H,5,12H2,1-4H3,(H,19,20,21).
What are the key properties of N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide?
N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).