4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile

C18H23N5 — CID 112926360

IUPAC4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
SMILESCCCN(CCC)c1cc(C)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C18H23N5/c1-4-10-23(11-5-2)17-12-14(3)20-18(22-17)21-16-8-6-15(13-19)7-9-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22)
InChIKeyURMVTMIXJDWFOQ-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.03
Rot. Bonds7

About 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile

4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile (PubChem CID 112926360) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
PubChem CID112926360
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
SMILESCCCN(CCC)c1cc(C)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C18H23N5/c1-4-10-23(11-5-2)17-12-14(3)20-18(22-17)21-16-8-6-15(13-19)7-9-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22)
InChIKeyURMVTMIXJDWFOQ-UHFFFAOYSA-N
XLogP4.03
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926310
4-[[2-(dipropylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112926457
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112906997
4-[[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112928708
4-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112914293
4-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 122287467
4-[[4-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112916468
2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901166
4-[[4-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112921992
4-[[4-(4-tert-butylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929265
4-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932222
2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924168

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile (CID 112926360) is 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile is CCCN(CCC)c1cc(C)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The InChIKey is URMVTMIXJDWFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-4-10-23(11-5-2)17-12-14(3)20-18(22-17)21-16-8-6-15(13-19)7-9-16/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile has a molecular weight of 309.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 112926360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).