2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine

C14H17N5 — CID 116976436

IUPAC2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine
SMILESCC1CN(c2ncc(-c3ccccn3)cn2)CCN1
InChIInChI=1S/C14H17N5/c1-11-10-19(7-6-15-11)14-17-8-12(9-18-14)13-4-2-3-5-16-13/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyARXVPEBBOKWPDE-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.34
Rot. Bonds2

About 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine

2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine (PubChem CID 116976436) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine
PubChem CID116976436
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine
SMILESCC1CN(c2ncc(-c3ccccn3)cn2)CCN1
InChIInChI=1S/C14H17N5/c1-11-10-19(7-6-15-11)14-17-8-12(9-18-14)13-4-2-3-5-16-13/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyARXVPEBBOKWPDE-UHFFFAOYSA-N
XLogP1.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 116976481
2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine
CID 116976426
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
5-iodo-2-(3-methylpiperazin-1-yl)pyrimidine
CID 116648329
(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797580
3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798380
3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798204
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907
1-(3-bromo-2-pyridinyl)-3-methylpiperazine
CID 62478564
4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
CID 71639412
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
1-[5-(3-bromo-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107517338

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine (CID 116976436) is 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine is CC1CN(c2ncc(-c3ccccn3)cn2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine?
The InChIKey is ARXVPEBBOKWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-11-10-19(7-6-15-11)14-17-8-12(9-18-14)13-4-2-3-5-16-13/h2-5,8-9,11,15H,6-7,10H2,1H3.
What are the key properties of 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine?
2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine has a molecular weight of 255.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine is sourced from PubChem (CID 116976436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).