2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile

C11H15N5 — CID 107552437

IUPAC2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CCCNC2)n1
InChIInChI=1S/C11H15N5/c12-6-10-3-5-14-11(16-10)15-8-9-2-1-4-13-7-9/h3,5,9,13H,1-2,4,7-8H2,(H,14,15,16)
InChIKeyQERUENRUAHHZDK-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.76
Rot. Bonds3

About 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile

2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile (PubChem CID 107552437) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
PubChem CID107552437
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CCCNC2)n1
InChIInChI=1S/C11H15N5/c12-6-10-3-5-14-11(16-10)15-8-9-2-1-4-13-7-9/h3,5,9,13H,1-2,4,7-8H2,(H,14,15,16)
InChIKeyQERUENRUAHHZDK-UHFFFAOYSA-N
XLogP0.76
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 71564412
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
4-chloro-5-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71639098
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
CID 63880785
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
4-methyl-3-(piperidin-3-ylmethylamino)benzonitrile
CID 80555575
N-(piperidin-3-ylmethyl)quinolin-8-amine
CID 80553061

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile (CID 107552437) is 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile is N#Cc1ccnc(NCC2CCCNC2)n1.
What is the InChIKey of 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile?
The InChIKey is QERUENRUAHHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-6-10-3-5-14-11(16-10)15-8-9-2-1-4-13-7-9/h3,5,9,13H,1-2,4,7-8H2,(H,14,15,16).
What are the key properties of 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile?
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).