4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile

C17H26N6 — CID 131908435

IUPAC4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCCC2CCCCN2C2CCCC2)nc1N
InChIInChI=1S/C17H26N6/c18-11-13-12-21-17(22-16(13)19)20-9-8-15-7-3-4-10-23(15)14-5-1-2-6-14/h12,14-15H,1-10H2,(H3,19,20,21,22)
InChIKeyOMXWTIFMUPBUDG-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.53
Rot. Bonds5

About 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile

4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 131908435) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID131908435
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCCC2CCCCN2C2CCCC2)nc1N
InChIInChI=1S/C17H26N6/c18-11-13-12-21-17(22-16(13)19)20-9-8-15-7-3-4-10-23(15)14-5-1-2-6-14/h12,14-15H,1-10H2,(H3,19,20,21,22)
InChIKeyOMXWTIFMUPBUDG-UHFFFAOYSA-N
XLogP2.53
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine
CID 131924906
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
4-amino-2-(prop-2-ynylamino)pyrimidine-5-carbonitrile
CID 155564399
4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile
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4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-4-aminopyrimidine-5-carbonitrile
CID 167855839
4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile
CID 131952801
4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile
CID 131892795
4-amino-2-(2-morpholin-4-ylbutylamino)pyrimidine-5-carbonitrile
CID 122563166
4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane
CID 144872350
4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile
CID 131921036

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile (CID 131908435) is 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile is N#Cc1cnc(NCCC2CCCCN2C2CCCC2)nc1N.
What is the InChIKey of 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is OMXWTIFMUPBUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c18-11-13-12-21-17(22-16(13)19)20-9-8-15-7-3-4-10-23(15)14-5-1-2-6-14/h12,14-15H,1-10H2,(H3,19,20,21,22).
What are the key properties of 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 314.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 131908435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).