2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

C7H13N3 — CID 103281677

IUPAC2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CN2CCCN=C2N1
InChIInChI=1S/C7H13N3/c1-6-5-10-4-2-3-8-7(10)9-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyHHYYHYPIGDVZIG-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.04
Rot. Bonds

About 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103281677) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103281677
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CN2CCCN=C2N1
InChIInChI=1S/C7H13N3/c1-6-5-10-4-2-3-8-7(10)9-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyHHYYHYPIGDVZIG-UHFFFAOYSA-N
XLogP0.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
CID 137448239
bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride
CID 139181305
7-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4-thiazepane
CID 130921378
7,7,8-trimethyl-3,4,6,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine
CID 23050697
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 157342676
2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
CID 103281673
2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one
CID 130024148
7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
CID 138601256
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine
CID 19902665
1-(2-chlorophenyl)-4-methyl-1,5-diazocane
CID 117014582
1-methyl-2-piperidin-4-yl-5,6-dihydro-4H-pyrimidine
CID 84658187
4-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1,5-diazocane
CID 115564862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (CID 103281677) is 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is CC1CN2CCCN=C2N1.
What is the InChIKey of 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is HHYYHYPIGDVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-5-10-4-2-3-8-7(10)9-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine has a molecular weight of 139.20 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103281677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).