4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile

C14H9ClN6 — CID 135388053

IUPAC4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESCn1cncc1-c1nc(-c2cccnc2)nc(Cl)c1C#N
InChIInChI=1S/C14H9ClN6/c1-21-8-18-7-11(21)12-10(5-16)13(15)20-14(19-12)9-3-2-4-17-6-9/h2-4,6-8H,1H3
InChIKeyWEKWORVPDZGPLT-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.46
Rot. Bonds2

About 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile

4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile (PubChem CID 135388053) has the molecular formula C14H9ClN6 and a molecular weight of 296.72 g/mol. Its IUPAC name is 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
PubChem CID135388053
Molecular FormulaC14H9ClN6
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESCn1cncc1-c1nc(-c2cccnc2)nc(Cl)c1C#N
InChIInChI=1S/C14H9ClN6/c1-21-8-18-7-11(21)12-10(5-16)13(15)20-14(19-12)9-3-2-4-17-6-9/h2-4,6-8H,1H3
InChIKeyWEKWORVPDZGPLT-UHFFFAOYSA-N
XLogP2.46
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile (CID 135388053) is 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile is Cn1cncc1-c1nc(-c2cccnc2)nc(Cl)c1C#N.
What is the InChIKey of 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The InChIKey is WEKWORVPDZGPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6/c1-21-8-18-7-11(21)12-10(5-16)13(15)20-14(19-12)9-3-2-4-17-6-9/h2-4,6-8H,1H3.
What are the key properties of 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile?
4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile has a molecular weight of 296.72 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 135388053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).