4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine

C20H27N5 — CID 112910193

IUPAC4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H27N5/c1-17-16-19(22-20(21-17)25-10-6-3-7-11-25)24-14-12-23(13-15-24)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
InChIKeyKKUFSRBNDKFDJS-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.10
Rot. Bonds3

About 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine

4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine (PubChem CID 112910193) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
PubChem CID112910193
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H27N5/c1-17-16-19(22-20(21-17)25-10-6-3-7-11-25)24-14-12-23(13-15-24)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
InChIKeyKKUFSRBNDKFDJS-UHFFFAOYSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]azepane
CID 112922347
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
4-(2,5-dihydropyrrol-1-yl)-6-methyl-2-piperidin-1-ylpyrimidine
CID 134700618
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155980957
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
2-[4-(3-methylphenyl)piperazin-1-yl]-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934123
2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171334402
(5-methyl-1-phenylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339713

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine (CID 112910193) is 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine is Cc1cc(N2CCN(c3ccccc3)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The InChIKey is KKUFSRBNDKFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-17-16-19(22-20(21-17)25-10-6-3-7-11-25)24-14-12-23(13-15-24)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3.
What are the key properties of 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine has a molecular weight of 337.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 112910193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).