N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide

C19H23N5O — CID 109334197

IUPACN-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H23N5O/c1-4-10-24(11-5-2)19-21-14(3)12-17(23-19)18(25)22-16-8-6-15(13-20)7-9-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,25)
InChIKeyOAYCWQAFFMKQHY-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.54
Rot. Bonds7

About N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide

N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109334197) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109334197
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H23N5O/c1-4-10-24(11-5-2)19-21-14(3)12-17(23-19)18(25)22-16-8-6-15(13-20)7-9-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,25)
InChIKeyOAYCWQAFFMKQHY-UHFFFAOYSA-N
XLogP3.54
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334146
4-[[2-(dipropylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112926457
N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264744
N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126210
methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109334170
N-(2,3-dimethylphenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334127
N-(3,4-dichlorophenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332307
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319833
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109325078
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide (CID 109334197) is N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide is CCCN(CCC)c1nc(C)cc(C(=O)Nc2ccc(C#N)cc2)n1.
What is the InChIKey of N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is OAYCWQAFFMKQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-10-24(11-5-2)19-21-14(3)12-17(23-19)18(25)22-16-8-6-15(13-20)7-9-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).