4,7-dimethyl-7aH-cyclopenta[d]pyrimidine

C9H10N2 — CID 118446160

IUPAC4,7-dimethyl-7aH-cyclopenta[d]pyrimidine
SMILESCC1=CC=C2C(C)=NC=NC12
InChIInChI=1S/C9H10N2/c1-6-3-4-8-7(2)10-5-11-9(6)8/h3-5,9H,1-2H3
InChIKeyDKJABXKRIRJZSW-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.74
Rot. Bonds

About 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine

4,7-dimethyl-7aH-cyclopenta[d]pyrimidine (PubChem CID 118446160) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4,7-dimethyl-7aH-cyclopenta[d]pyrimidine
PubChem CID118446160
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4,7-dimethyl-7aH-cyclopenta[d]pyrimidine
SMILESCC1=CC=C2C(C)=NC=NC12
InChIInChI=1S/C9H10N2/c1-6-3-4-8-7(2)10-5-11-9(6)8/h3-5,9H,1-2H3
InChIKeyDKJABXKRIRJZSW-UHFFFAOYSA-N
XLogP1.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine?
The IUPAC name of 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine (CID 118446160) is 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine?
The canonical SMILES for 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine is CC1=CC=C2C(C)=NC=NC12.
What is the InChIKey of 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine?
The InChIKey is DKJABXKRIRJZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-6-3-4-8-7(2)10-5-11-9(6)8/h3-5,9H,1-2H3.
What are the key properties of 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine?
4,7-dimethyl-7aH-cyclopenta[d]pyrimidine has a molecular weight of 146.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-7aH-cyclopenta[d]pyrimidine is sourced from PubChem (CID 118446160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).