5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

C19H21ClN6 — CID 154882666

IUPAC5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(C2CC2)nc(N2CCN(c3ncc(C#N)cc3Cl)CC2)c1C
InChIInChI=1S/C19H21ClN6/c1-12-13(2)23-17(15-3-4-15)24-18(12)25-5-7-26(8-6-25)19-16(20)9-14(10-21)11-22-19/h9,11,15H,3-8H2,1-2H3
InChIKeyQTUFQWJYUSSUQZ-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 154882666) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID154882666
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(C2CC2)nc(N2CCN(c3ncc(C#N)cc3Cl)CC2)c1C
InChIInChI=1S/C19H21ClN6/c1-12-13(2)23-17(15-3-4-15)24-18(12)25-5-7-26(8-6-25)19-16(20)9-14(10-21)11-22-19/h9,11,15H,3-8H2,1-2H3
InChIKeyQTUFQWJYUSSUQZ-UHFFFAOYSA-N
XLogP3.22
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155798288
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
2-cyclopropyl-4,5-dimethyl-6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882524
5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56795550
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154882881
cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571
5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 99812003
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
5-chloro-6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 163343448
5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 134160931
4-[4-(6-bromo-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-3-chlorobenzonitrile
CID 90248837
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 154882666) is 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1nc(C2CC2)nc(N2CCN(c3ncc(C#N)cc3Cl)CC2)c1C.
What is the InChIKey of 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QTUFQWJYUSSUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-12-13(2)23-17(15-3-4-15)24-18(12)25-5-7-26(8-6-25)19-16(20)9-14(10-21)11-22-19/h9,11,15H,3-8H2,1-2H3.
What are the key properties of 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 368.87 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154882666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).