3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile

C19H23N7O — CID 155800265

IUPAC3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3cccnc3C#N)CC2)n1
InChIInChI=1S/C19H23N7O/c1-15-13-18(25-9-11-27-12-10-25)23-19(22-15)26-7-5-24(6-8-26)17-3-2-4-21-16(17)14-20/h2-4,13H,5-12H2,1H3
InChIKeyPCZDLXQCXRLKCO-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.21
Rot. Bonds3

About 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile

3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 155800265) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID155800265
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3cccnc3C#N)CC2)n1
InChIInChI=1S/C19H23N7O/c1-15-13-18(25-9-11-27-12-10-25)23-19(22-15)26-7-5-24(6-8-26)17-3-2-4-21-16(17)14-20/h2-4,13H,5-12H2,1H3
InChIKeyPCZDLXQCXRLKCO-UHFFFAOYSA-N
XLogP1.21
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 166601379
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345940
3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 155981378
2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171334402
2-fluoro-4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]benzonitrile
CID 171690574
2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334663
2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079860
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]furo[3,2-c]pyridine
CID 165433903
4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 146074348

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 155800265) is 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile is Cc1cc(N2CCOCC2)nc(N2CCN(c3cccnc3C#N)CC2)n1.
What is the InChIKey of 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is PCZDLXQCXRLKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-15-13-18(25-9-11-27-12-10-25)23-19(22-15)26-7-5-24(6-8-26)17-3-2-4-21-16(17)14-20/h2-4,13H,5-12H2,1H3.
What are the key properties of 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 155800265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).