2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile

C19H24N6 — CID 172901514

IUPAC2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile
SMILESCN(C)c1cc(NC2CCCN(Cc3ccccc3C#N)C2)ncn1
InChIInChI=1S/C19H24N6/c1-24(2)19-10-18(21-14-22-19)23-17-8-5-9-25(13-17)12-16-7-4-3-6-15(16)11-20/h3-4,6-7,10,14,17H,5,8-9,12-13H2,1-2H3,(H,21,22,23)
InChIKeyMKYORLYJIIHKQV-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.49
Rot. Bonds5

About 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile

2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile (PubChem CID 172901514) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile
PubChem CID172901514
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile
SMILESCN(C)c1cc(NC2CCCN(Cc3ccccc3C#N)C2)ncn1
InChIInChI=1S/C19H24N6/c1-24(2)19-10-18(21-14-22-19)23-17-8-5-9-25(13-17)12-16-7-4-3-6-15(16)11-20/h3-4,6-7,10,14,17H,5,8-9,12-13H2,1-2H3,(H,21,22,23)
InChIKeyMKYORLYJIIHKQV-UHFFFAOYSA-N
XLogP2.49
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-dimethyl-6-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171998479
6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998734
2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 172892296
6-N-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171999428
6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998123
4-N,4-N-dimethyl-6-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 172881623
2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-fluorobenzonitrile
CID 171996840
6-N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998555
3-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-5-fluorobenzonitrile
CID 171997012
6-N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 172893220
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile (CID 172901514) is 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile is CN(C)c1cc(NC2CCCN(Cc3ccccc3C#N)C2)ncn1.
What is the InChIKey of 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is MKYORLYJIIHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-24(2)19-10-18(21-14-22-19)23-17-8-5-9-25(13-17)12-16-7-4-3-6-15(16)11-20/h3-4,6-7,10,14,17H,5,8-9,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile?
2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 172901514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).