N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine

C9H12N4 — CID 83827626

IUPACN-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine
SMILESCNCc1cnc2ncc(C)cn12
InChIInChI=1S/C9H12N4/c1-7-3-11-9-12-5-8(4-10-2)13(9)6-7/h3,5-6,10H,4H2,1-2H3
InChIKeyDGYAGUQBXPCWKK-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.76
Rot. Bonds2

About N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine

N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine (PubChem CID 83827626) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine
PubChem CID83827626
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine
SMILESCNCc1cnc2ncc(C)cn12
InChIInChI=1S/C9H12N4/c1-7-3-11-9-12-5-8(4-10-2)13(9)6-7/h3,5-6,10H,4H2,1-2H3
InChIKeyDGYAGUQBXPCWKK-UHFFFAOYSA-N
XLogP0.76
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine (CID 83827626) is N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine is CNCc1cnc2ncc(C)cn12.
What is the InChIKey of N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine?
The InChIKey is DGYAGUQBXPCWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-7-3-11-9-12-5-8(4-10-2)13(9)6-7/h3,5-6,10H,4H2,1-2H3.
What are the key properties of N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine?
N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine is sourced from PubChem (CID 83827626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).