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

C16H20N4O — CID 109295026

IUPAC2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-3-11-17-15(21)14-10-12-18-16(19-14)20(4-2)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,21)
InChIKeyQCOUWQDQBSTMBN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds6

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

2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109295026) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109295026
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(N(CC)c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-3-11-17-15(21)14-10-12-18-16(19-14)20(4-2)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,21)
InChIKeyQCOUWQDQBSTMBN-UHFFFAOYSA-N
XLogP2.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312336
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300297
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
4-N-methyl-4-N-phenyl-2-N-propylpyridine-2,4-dicarboxamide
CID 109077905

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide (CID 109295026) is 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccnc(N(CC)c2ccccc2)n1.
What is the InChIKey of 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is QCOUWQDQBSTMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-11-17-15(21)14-10-12-18-16(19-14)20(4-2)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,21).
What are the key properties of 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide?
2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).