2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine

C8H12N2 — CID 14317476

IUPAC2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine
SMILESCC1=NC2CCCN2C=C1
InChIInChI=1S/C8H12N2/c1-7-4-6-10-5-2-3-8(10)9-7/h4,6,8H,2-3,5H2,1H3
InChIKeyHJQUWSWHWRPLGK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.40
Rot. Bonds

About 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine

2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine (PubChem CID 14317476) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine
PubChem CID14317476
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine
SMILESCC1=NC2CCCN2C=C1
InChIInChI=1S/C8H12N2/c1-7-4-6-10-5-2-3-8(10)9-7/h4,6,8H,2-3,5H2,1H3
InChIKeyHJQUWSWHWRPLGK-UHFFFAOYSA-N
XLogP1.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83530745
13-methyl-1,15-diazabicyclo[10.4.0]hexadeca-13,15-diene
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1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
(3S)-1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 107225975
2-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 175454634
7,7-dimethyl-1,2,3,9a-tetrahydropyrrolo[1,2-a]azepine
CID 145148945
tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 80999348
(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
CID 24904595
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
1-[6-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2,4-dimethyl-2H-pyrimidine
CID 150642409
(3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one
CID 155455203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine (CID 14317476) is 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine is CC1=NC2CCCN2C=C1.
What is the InChIKey of 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is HJQUWSWHWRPLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-6-10-5-2-3-8(10)9-7/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine?
2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 14317476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).