2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine

C15H18N4 — CID 116976426

IUPAC2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine
SMILESCC1CN(c2ncc(-c3ccccc3)cn2)CCN1
InChIInChI=1S/C15H18N4/c1-12-11-19(8-7-16-12)15-17-9-14(10-18-15)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3
InChIKeyFASNRJJMZGJEHE-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.94
Rot. Bonds2

About 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine

2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine (PubChem CID 116976426) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine
PubChem CID116976426
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine
SMILESCC1CN(c2ncc(-c3ccccc3)cn2)CCN1
InChIInChI=1S/C15H18N4/c1-12-11-19(8-7-16-12)15-17-9-14(10-18-15)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3
InChIKeyFASNRJJMZGJEHE-UHFFFAOYSA-N
XLogP1.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine
CID 116976436
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220
5-iodo-2-(3-methylpiperazin-1-yl)pyrimidine
CID 116648329
1-(3-methylpiperazin-1-yl)-4-phenylisoquinoline
CID 90334517
5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole
CID 59511231
5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 122620941
6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 116976481
3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798380
(3R)-1-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797761
4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
CID 71639412
(3R)-3-methyl-1-[5-(2-phenoxyethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797735

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine (CID 116976426) is 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine is CC1CN(c2ncc(-c3ccccc3)cn2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine?
The InChIKey is FASNRJJMZGJEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-11-19(8-7-16-12)15-17-9-14(10-18-15)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3.
What are the key properties of 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine?
2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine has a molecular weight of 254.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine is sourced from PubChem (CID 116976426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).