6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide

C21H31N5O — CID 109355395

IUPAC6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(N(CC)CC)cc2)ncn1
InChIInChI=1S/C21H31N5O/c1-5-13-26(14-6-2)21(27)19-15-20(23-16-22-19)24-17-9-11-18(12-10-17)25(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,23,24)
InChIKeyYNTZKSUVGUEYTH-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.33
Rot. Bonds10

About 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide

6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109355395) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109355395
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(N(CC)CC)cc2)ncn1
InChIInChI=1S/C21H31N5O/c1-5-13-26(14-6-2)21(27)19-15-20(23-16-22-19)24-17-9-11-18(12-10-17)25(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,23,24)
InChIKeyYNTZKSUVGUEYTH-UHFFFAOYSA-N
XLogP4.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109354803
N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109353919
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
1-[4-[6-[4-(diethylamino)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346100
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756
6-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide (CID 109355395) is 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccc(N(CC)CC)cc2)ncn1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is YNTZKSUVGUEYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-5-13-26(14-6-2)21(27)19-15-20(23-16-22-19)24-17-9-11-18(12-10-17)25(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,23,24).
What are the key properties of 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide?
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).