7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine

C9H11N3 — CID 118446164

IUPAC7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
SMILESC=C1NC(N)=NC2C(C)=CC=C12
InChIInChI=1S/C9H11N3/c1-5-3-4-7-6(2)11-9(10)12-8(5)7/h3-4,8H,2H2,1H3,(H3,10,11,12)
InChIKeySILMSVBOFRSJAV-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.67
Rot. Bonds

About 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine

7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine (PubChem CID 118446164) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
PubChem CID118446164
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
SMILESC=C1NC(N)=NC2C(C)=CC=C12
InChIInChI=1S/C9H11N3/c1-5-3-4-7-6(2)11-9(10)12-8(5)7/h3-4,8H,2H2,1H3,(H3,10,11,12)
InChIKeySILMSVBOFRSJAV-UHFFFAOYSA-N
XLogP0.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine (CID 118446164) is 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine is C=C1NC(N)=NC2C(C)=CC=C12.
What is the InChIKey of 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine?
The InChIKey is SILMSVBOFRSJAV-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,2H2,1H3,(H3,10,11,12).
What are the key properties of 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine?
7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine has a molecular weight of 161.21 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 118446164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).