6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide

C16H20N4O — CID 109338538

IUPAC6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccccc2CC)ncn1
InChIInChI=1S/C16H20N4O/c1-3-9-17-16(21)14-10-15(19-11-18-14)20-13-8-6-5-7-12(13)4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyZUORCXYELLAPEM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds6

About 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide

6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109338538) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109338538
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccccc2CC)ncn1
InChIInChI=1S/C16H20N4O/c1-3-9-17-16(21)14-10-15(19-11-18-14)20-13-8-6-5-7-12(13)4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyZUORCXYELLAPEM-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338601
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109350972
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
6-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344323
N-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340116

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide (CID 109338538) is 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2ccccc2CC)ncn1.
What is the InChIKey of 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is ZUORCXYELLAPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-9-17-16(21)14-10-15(19-11-18-14)20-13-8-6-5-7-12(13)4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide?
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).