2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile

C14H21N5 — CID 107552802

IUPAC2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
SMILESCCCN(CC1CCCNC1)c1nccc(C#N)n1
InChIInChI=1S/C14H21N5/c1-2-8-19(11-12-4-3-6-16-10-12)14-17-7-5-13(9-15)18-14/h5,7,12,16H,2-4,6,8,10-11H2,1H3
InChIKeyKEUVNJGVIYIILK-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.56
Rot. Bonds5

About 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile

2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107552802) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
PubChem CID107552802
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
SMILESCCCN(CC1CCCNC1)c1nccc(C#N)n1
InChIInChI=1S/C14H21N5/c1-2-8-19(11-12-4-3-6-16-10-12)14-17-7-5-13(9-15)18-14/h5,7,12,16H,2-4,6,8,10-11H2,1H3
InChIKeyKEUVNJGVIYIILK-UHFFFAOYSA-N
XLogP1.56
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
2-methoxy-N-(piperidin-3-ylmethyl)-N-propylpyridin-4-amine
CID 106643981
5-chloro-2-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644235
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437
4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106638546
2-bromo-6-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644108
3-[ethyl(piperidin-3-ylmethyl)amino]pyrazine-2-carbonitrile
CID 106643570
5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106644080
4-[piperidin-3-ylmethyl(propyl)amino]pyridine-2-carboxamide
CID 106644188
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile (CID 107552802) is 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile is CCCN(CC1CCCNC1)c1nccc(C#N)n1.
What is the InChIKey of 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is KEUVNJGVIYIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-8-19(11-12-4-3-6-16-10-12)14-17-7-5-13(9-15)18-14/h5,7,12,16H,2-4,6,8,10-11H2,1H3.
What are the key properties of 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile?
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).