2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine

C8H16N2 — CID 58967515

IUPAC2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
SMILESCN1CCC2CCCN2C1
InChIInChI=1S/C8H16N2/c1-9-6-4-8-3-2-5-10(8)7-9/h8H,2-7H2,1H3
InChIKeyWPXSPWSKKVVNNG-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.74
Rot. Bonds

About 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine

2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine (PubChem CID 58967515) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
PubChem CID58967515
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
SMILESCN1CCC2CCCN2C1
InChIInChI=1S/C8H16N2/c1-9-6-4-8-3-2-5-10(8)7-9/h8H,2-7H2,1H3
InChIKeyWPXSPWSKKVVNNG-UHFFFAOYSA-N
XLogP0.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,7S,9R)-7-pentyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 11053662
1,8-Diazabicyclo(6.3.1)dodecane
CID 145359
(2S,7R,9R)-7-pentyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 10857466
(5S,6aR,10aS)-Decahydro-5-propyldipyrrolo(1,2-a:1',2'-c)pyrimidine
CID 101725138
(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 101998391
2-hexyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 69826644
2-methyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 156888855
2-propyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 85550803
(5S,6aR,10aS)-5-Propyldecahydrodipyrrolo[1,2-a:1',2'-c]pyrimidine
CID 86185317
(2R,9R)-7-pent-1-ynyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 101725137
1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine
CID 20675647
1,4-Diethyl-3,6-dimethyl-1,3-diazinane
CID 21977209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The IUPAC name of 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine (CID 58967515) is 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine is CN1CCC2CCCN2C1.
What is the InChIKey of 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The InChIKey is WPXSPWSKKVVNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-6-4-8-3-2-5-10(8)7-9/h8H,2-7H2,1H3.
What are the key properties of 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine has a molecular weight of 140.23 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 58967515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).