2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

C19H23N5O — CID 109334286

IUPAC2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C19H23N5O/c1-4-9-24(10-5-2)18(25)17-11-14(3)21-19(23-17)22-16-8-6-7-15(12-16)13-20/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,22,23)
InChIKeyLFCWRFCEQWZCBE-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.66
Rot. Bonds7

About 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109334286) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109334286
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C19H23N5O/c1-4-9-24(10-5-2)18(25)17-11-14(3)21-19(23-17)22-16-8-6-7-15(12-16)13-20/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,22,23)
InChIKeyLFCWRFCEQWZCBE-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126285
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
2-(3-cyanoanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338
2-(3-cyanoanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327983
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
3-[[4-methyl-6-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109324521
N-(3-chloro-2-methylphenyl)-2-(3-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109337220
6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109334224
2-(3-cyanoanilino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109337788
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324832

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (CID 109334286) is 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc(Nc2cccc(C#N)c2)n1.
What is the InChIKey of 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is LFCWRFCEQWZCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-9-24(10-5-2)18(25)17-11-14(3)21-19(23-17)22-16-8-6-7-15(12-16)13-20/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).