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

C11H15N3 — CID 118446168

IUPAC4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
SMILESC=C1NC(N)=NC2C1=CC=C2C(C)C
InChIInChI=1S/C11H15N3/c1-6(2)8-4-5-9-7(3)13-11(12)14-10(8)9/h4-6,10H,3H2,1-2H3,(H3,12,13,14)
InChIKeyMJYVCFNKIQTHKR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.31
Rot. Bonds1

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

4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine (PubChem CID 118446168) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
PubChem CID118446168
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
SMILESC=C1NC(N)=NC2C1=CC=C2C(C)C
InChIInChI=1S/C11H15N3/c1-6(2)8-4-5-9-7(3)13-11(12)14-10(8)9/h4-6,10H,3H2,1-2H3,(H3,12,13,14)
InChIKeyMJYVCFNKIQTHKR-UHFFFAOYSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine (CID 118446168) is 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine is C=C1NC(N)=NC2C1=CC=C2C(C)C.
What is the InChIKey of 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine?
The InChIKey is MJYVCFNKIQTHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-6(2)8-4-5-9-7(3)13-11(12)14-10(8)9/h4-6,10H,3H2,1-2H3,(H3,12,13,14).
What are the key properties of 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine?
4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine has a molecular weight of 189.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 118446168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).