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

C10H10N4 — CID 130587758

IUPAC4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CC=CCC2)n1
InChIInChI=1S/C10H10N4/c11-8-9-12-5-4-10(13-9)14-6-2-1-3-7-14/h1-2,4-5H,3,6-7H2
InChIKeyQMAKFWCXERBBOX-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.11
Rot. Bonds1

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

4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile (PubChem CID 130587758) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile
PubChem CID130587758
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CC=CCC2)n1
InChIInChI=1S/C10H10N4/c11-8-9-12-5-4-10(13-9)14-6-2-1-3-7-14/h1-2,4-5H,3,6-7H2
InChIKeyQMAKFWCXERBBOX-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 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile (CID 130587758) is 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile is N#Cc1nccc(N2CC=CCC2)n1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile?
The InChIKey is QMAKFWCXERBBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-8-9-12-5-4-10(13-9)14-6-2-1-3-7-14/h1-2,4-5H,3,6-7H2.
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile?
4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-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 4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 130587758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).