6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile

C10H10N4 — CID 130173880

IUPAC6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CC=CCC2)ncn1
InChIInChI=1S/C10H10N4/c11-7-9-6-10(13-8-12-9)14-4-2-1-3-5-14/h1-2,6,8H,3-5H2
InChIKeyBNPGBNTXNUBPHD-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.11
Rot. Bonds1

About 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile

6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 130173880) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile
PubChem CID130173880
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CC=CCC2)ncn1
InChIInChI=1S/C10H10N4/c11-7-9-6-10(13-8-12-9)14-4-2-1-3-5-14/h1-2,6,8H,3-5H2
InChIKeyBNPGBNTXNUBPHD-UHFFFAOYSA-N
XLogP1.11
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile (CID 130173880) is 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile is N#Cc1cc(N2CC=CCC2)ncn1.
What is the InChIKey of 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is BNPGBNTXNUBPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-7-9-6-10(13-8-12-9)14-4-2-1-3-5-14/h1-2,6,8H,3-5H2.
What are the key properties of 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile?
6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 130173880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).