3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine

C9H16N2 — CID 22894542

IUPAC3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine
SMILESCC1(C)CN=C2CCCN2C1
InChIInChI=1S/C9H16N2/c1-9(2)6-10-8-4-3-5-11(8)7-9/h3-7H2,1-2H3
InChIKeyCJNFXMHNHRIUEB-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.52
Rot. Bonds

About 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine

3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine (PubChem CID 22894542) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine
PubChem CID22894542
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine
SMILESCC1(C)CN=C2CCCN2C1
InChIInChI=1S/C9H16N2/c1-9(2)6-10-8-4-3-5-11(8)7-9/h3-7H2,1-2H3
InChIKeyCJNFXMHNHRIUEB-UHFFFAOYSA-N
XLogP1.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine?
The IUPAC name of 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine (CID 22894542) is 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine is CC1(C)CN=C2CCCN2C1.
What is the InChIKey of 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine?
The InChIKey is CJNFXMHNHRIUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)6-10-8-4-3-5-11(8)7-9/h3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine?
3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 22894542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).