4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine

C9H11N3 — CID 118446161

IUPAC4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine
SMILESCC1=CC=C2C(C)=NC(N)=NC12
InChIInChI=1S/C9H11N3/c1-5-3-4-7-6(2)11-9(10)12-8(5)7/h3-4,8H,1-2H3,(H2,10,12)
InChIKeyMGVKESDWMGRKHW-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.03
Rot. Bonds

About 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine

4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine (PubChem CID 118446161) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine
PubChem CID118446161
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine
SMILESCC1=CC=C2C(C)=NC(N)=NC12
InChIInChI=1S/C9H11N3/c1-5-3-4-7-6(2)11-9(10)12-8(5)7/h3-4,8H,1-2H3,(H2,10,12)
InChIKeyMGVKESDWMGRKHW-UHFFFAOYSA-N
XLogP1.03
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine (CID 118446161) is 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine is CC1=CC=C2C(C)=NC(N)=NC12.
What is the InChIKey of 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is MGVKESDWMGRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-5-3-4-7-6(2)11-9(10)12-8(5)7/h3-4,8H,1-2H3,(H2,10,12).
What are the key properties of 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine?
4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 161.21 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 118446161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).