4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride

C10H17ClN4 — CID 71639412

IUPAC4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
SMILESCc1ccnc(N2CCNC(C)C2)n1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-8-3-4-12-10(13-8)14-6-5-11-9(2)7-14;/h3-4,9,11H,5-7H2,1-2H3;1H
InChIKeyIHRUJYVOLOZBBA-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.00
Rot. Bonds1

About 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride

4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride (PubChem CID 71639412) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
PubChem CID71639412
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
SMILESCc1ccnc(N2CCNC(C)C2)n1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-8-3-4-12-10(13-8)14-6-5-11-9(2)7-14;/h3-4,9,11H,5-7H2,1-2H3;1H
InChIKeyIHRUJYVOLOZBBA-UHFFFAOYSA-N
XLogP1.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
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4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
5-bromo-4-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 122620941
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
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4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 62958401
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane
CID 67086867
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
1-(4-methylpyrimidin-2-yl)azetidin-3-ol
CID 63283961
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CID 131025799

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride?
The IUPAC name of 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride (CID 71639412) is 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride is Cc1ccnc(N2CCNC(C)C2)n1.Cl.
What is the InChIKey of 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride?
The InChIKey is IHRUJYVOLOZBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.ClH/c1-8-3-4-12-10(13-8)14-6-5-11-9(2)7-14;/h3-4,9,11H,5-7H2,1-2H3;1H.
What are the key properties of 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride?
4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride is sourced from PubChem (CID 71639412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).