2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine

C12H17N3 — CID 115023151

IUPAC2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
SMILESCC1(N)CCc2cnc(C3CCC3)nc21
InChIInChI=1S/C12H17N3/c1-12(13)6-5-9-7-14-11(15-10(9)12)8-3-2-4-8/h7-8H,2-6,13H2,1H3
InChIKeyKTUTUTYMEASYSN-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.86
Rot. Bonds1

About 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine

2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine (PubChem CID 115023151) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
PubChem CID115023151
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
SMILESCC1(N)CCc2cnc(C3CCC3)nc21
InChIInChI=1S/C12H17N3/c1-12(13)6-5-9-7-14-11(15-10(9)12)8-3-2-4-8/h7-8H,2-6,13H2,1H3
InChIKeyKTUTUTYMEASYSN-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine?
The IUPAC name of 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine (CID 115023151) is 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine.
What is the SMILES notation for 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine?
The canonical SMILES for 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine is CC1(N)CCc2cnc(C3CCC3)nc21.
What is the InChIKey of 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine?
The InChIKey is KTUTUTYMEASYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(13)6-5-9-7-14-11(15-10(9)12)8-3-2-4-8/h7-8H,2-6,13H2,1H3.
What are the key properties of 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine?
2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine has a molecular weight of 203.29 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine is sourced from PubChem (CID 115023151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).