(3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile

C9H10N4 — CID 130383086

IUPAC(3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile
SMILESN#CN1CC[C@H](c2cncnc2)C1
InChIInChI=1S/C9H10N4/c10-6-13-2-1-8(5-13)9-3-11-7-12-4-9/h3-4,7-8H,1-2,5H2/t8-/m0/s1
InChIKeyYMAXRSZPZPVKIU-QMMMGPOBSA-N
MW174.21 g/mol
LogP0.75
Rot. Bonds1

About (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile

(3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile (PubChem CID 130383086) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name(3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile
PubChem CID130383086
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name(3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile
SMILESN#CN1CC[C@H](c2cncnc2)C1
InChIInChI=1S/C9H10N4/c10-6-13-2-1-8(5-13)9-3-11-7-12-4-9/h3-4,7-8H,1-2,5H2/t8-/m0/s1
InChIKeyYMAXRSZPZPVKIU-QMMMGPOBSA-N
XLogP0.75
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
CID 15750249
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide
CID 122590666
3-[3-(3-pyridin-4-ylphenyl)-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454580
3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonitrile
CID 118456698
(3-pyridin-3-ylpyrrolidin-1-yl)methylidenecyanamide
CID 87442734
1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride
CID 18934731
4-[4-amino-7-(1-cyanopyrrolidin-3-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzamide
CID 145011106
3-[5-[3-(3-cyanophenyl)azetidin-1-yl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile
CID 130468569
3-[3-[3-(1,2-oxazol-4-yl)phenyl]-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454562
(3S)-3-[3-[3-(1,2-oxazol-4-yl)phenyl]-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 165112450
3-[3-(4-phenyl-2-pyridinyl)-1H-pyrazol-5-yl]pyrrolidine-1-carbonitrile
CID 130454663
N-[[(5S)-3-[4-(1-cyanopyrrolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 88572518

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile?
The IUPAC name of (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile (CID 130383086) is (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile.
What is the SMILES notation for (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile?
The canonical SMILES for (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile is N#CN1CC[C@H](c2cncnc2)C1.
What is the InChIKey of (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile?
The InChIKey is YMAXRSZPZPVKIU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N4/c10-6-13-2-1-8(5-13)9-3-11-7-12-4-9/h3-4,7-8H,1-2,5H2/t8-/m0/s1.
What are the key properties of (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile?
(3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile has a molecular weight of 174.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile is sourced from PubChem (CID 130383086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).