2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile

C15H18N6O — CID 167989621

IUPAC2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile
SMILESN#CCc1ccnc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
InChIInChI=1S/C15H18N6O/c16-4-2-12-3-6-17-15(19-12)20-13-8-11(9-14(13)22)10-21-7-1-5-18-21/h1,3,5-7,11,13-14,22H,2,8-10H2,(H,17,19,20)/t11?,13-,14-/m1/s1
InChIKeyLUQPGIJKWCYOHE-HIDCPEKUSA-N
MW298.35 g/mol
LogP0.99
Rot. Bonds5

About 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile

2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile (PubChem CID 167989621) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile
PubChem CID167989621
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile
SMILESN#CCc1ccnc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1
InChIInChI=1S/C15H18N6O/c16-4-2-12-3-6-17-15(19-12)20-13-8-11(9-14(13)22)10-21-7-1-5-18-21/h1,3,5-7,11,13-14,22H,2,8-10H2,(H,17,19,20)/t11?,13-,14-/m1/s1
InChIKeyLUQPGIJKWCYOHE-HIDCPEKUSA-N
XLogP0.99
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile with MolForge

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Related Compounds

trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
trans-(1R,2R)-2-[(3-chloro-4-methyl-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167781265
trans-(1R,2R)-2-[(2,6-dicyclopropylpyrimidin-4-yl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 167878720
trans-(1R,2R)-2-[(3-bromo-4-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146153878
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154798355
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 146110013
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878
trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 154803195
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
CID 146110002
trans-(1R,2R)-4-(pyrazol-1-ylmethyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 146113945

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile?
The IUPAC name of 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile (CID 167989621) is 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile?
The canonical SMILES for 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile is N#CCc1ccnc(N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n1.
What is the InChIKey of 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile?
The InChIKey is LUQPGIJKWCYOHE-HIDCPEKUSA-N. The full InChI is InChI=1S/C15H18N6O/c16-4-2-12-3-6-17-15(19-12)20-13-8-11(9-14(13)22)10-21-7-1-5-18-21/h1,3,5-7,11,13-14,22H,2,8-10H2,(H,17,19,20)/t11?,13-,14-/m1/s1.
What are the key properties of 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile?
2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile has a molecular weight of 298.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]pyrimidin-4-yl]acetonitrile is sourced from PubChem (CID 167989621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).