2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H17N3O — CID 82840399

IUPAC2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1CCC(c2nc(N)c3c(n2)CCC3)O1
InChIInChI=1S/C12H17N3O/c1-7-5-6-10(16-7)12-14-9-4-2-3-8(9)11(13)15-12/h7,10H,2-6H2,1H3,(H2,13,14,15)
InChIKeyPSQOTTROSKELLL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.79
Rot. Bonds1

About 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 82840399) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID82840399
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1CCC(c2nc(N)c3c(n2)CCC3)O1
InChIInChI=1S/C12H17N3O/c1-7-5-6-10(16-7)12-14-9-4-2-3-8(9)11(13)15-12/h7,10H,2-6H2,1H3,(H2,13,14,15)
InChIKeyPSQOTTROSKELLL-UHFFFAOYSA-N
XLogP1.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 82840399) is 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC1CCC(c2nc(N)c3c(n2)CCC3)O1.
What is the InChIKey of 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is PSQOTTROSKELLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7-5-6-10(16-7)12-14-9-4-2-3-8(9)11(13)15-12/h7,10H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 82840399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).