2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine

C12H17N5 — CID 3968007

IUPAC2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCN1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C12H17N5/c1-15-5-7-16(8-6-15)9-11-10-17-4-2-3-13-12(17)14-11/h2-4,10H,5-9H2,1H3
InChIKeyYBVYKVJHNPGDHV-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.48
Rot. Bonds2

About 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine

2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 3968007) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
PubChem CID3968007
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCN1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C12H17N5/c1-15-5-7-16(8-6-15)9-11-10-17-4-2-3-13-12(17)14-11/h2-4,10H,5-9H2,1H3
InChIKeyYBVYKVJHNPGDHV-UHFFFAOYSA-N
XLogP0.48
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine (CID 3968007) is 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine is CN1CCN(Cc2cn3cccnc3n2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is YBVYKVJHNPGDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-15-5-7-16(8-6-15)9-11-10-17-4-2-3-13-12(17)14-11/h2-4,10H,5-9H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 3968007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).