N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide

C17H20N4O — CID 109319937

IUPACN-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc1
InChIInChI=1S/C17H20N4O/c1-3-12-4-6-14(7-5-12)20-17-18-11(2)10-15(21-17)16(22)19-13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyCTPIVLPJDUZSCV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.98
Rot. Bonds5

About N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide

N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109319937) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109319937
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc1
InChIInChI=1S/C17H20N4O/c1-3-12-4-6-14(7-5-12)20-17-18-11(2)10-15(21-17)16(22)19-13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyCTPIVLPJDUZSCV-UHFFFAOYSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109319972
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336288
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109320007
N-cyclopropyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319930

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109319937) is N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide is CCc1ccc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CTPIVLPJDUZSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-12-4-6-14(7-5-12)20-17-18-11(2)10-15(21-17)16(22)19-13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).