3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile

C16H17N5 — CID 133370498

IUPAC3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile
SMILESCN(CCC#N)c1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C16H17N5/c1-21(11-3-8-17)16-13-4-2-5-14(13)19-15(20-16)12-6-9-18-10-7-12/h6-7,9-10H,2-5,11H2,1H3
InChIKeyVULFNDAMYGKMIG-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.38
Rot. Bonds4

About 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile

3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile (PubChem CID 133370498) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile
PubChem CID133370498
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile
SMILESCN(CCC#N)c1nc(-c2ccncc2)nc2c1CCC2
InChIInChI=1S/C16H17N5/c1-21(11-3-8-17)16-13-4-2-5-14(13)19-15(20-16)12-6-9-18-10-7-12/h6-7,9-10H,2-5,11H2,1H3
InChIKeyVULFNDAMYGKMIG-UHFFFAOYSA-N
XLogP2.38
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile (CID 133370498) is 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile is CN(CCC#N)c1nc(-c2ccncc2)nc2c1CCC2.
What is the InChIKey of 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile?
The InChIKey is VULFNDAMYGKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-21(11-3-8-17)16-13-4-2-5-14(13)19-15(20-16)12-6-9-18-10-7-12/h6-7,9-10H,2-5,11H2,1H3.
What are the key properties of 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile?
3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile has a molecular weight of 279.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propanenitrile is sourced from PubChem (CID 133370498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).