2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide

C19H26N4O2 — CID 109313024

IUPAC2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccccc2OCC)n1
InChIInChI=1S/C19H26N4O2/c1-4-13-23(14-5-2)18(24)16-11-12-20-19(22-16)21-15-9-7-8-10-17(15)25-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,20,21,22)
InChIKeySRIKEXHGBSVVIG-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.88
Rot. Bonds9

About 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide

2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109313024) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109313024
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccccc2OCC)n1
InChIInChI=1S/C19H26N4O2/c1-4-13-23(14-5-2)18(24)16-11-12-20-19(22-16)21-15-9-7-8-10-17(15)25-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,20,21,22)
InChIKeySRIKEXHGBSVVIG-UHFFFAOYSA-N
XLogP3.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702
4-N-(2-ethoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090577
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
methyl 4-[[2-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109317806

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109313024) is 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2ccccc2OCC)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is SRIKEXHGBSVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-13-23(14-5-2)18(24)16-11-12-20-19(22-16)21-15-9-7-8-10-17(15)25-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).