N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H17N3O — CID 82727853

IUPACN-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1OCCC1Nc1ncnc2c1CCC2
InChIInChI=1S/C12H17N3O/c1-8-10(5-6-16-8)15-12-9-3-2-4-11(9)13-7-14-12/h7-8,10H,2-6H2,1H3,(H,13,14,15)
InChIKeyICJLWQGQXKUQRB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.55
Rot. Bonds2

About N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 82727853) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID82727853
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1OCCC1Nc1ncnc2c1CCC2
InChIInChI=1S/C12H17N3O/c1-8-10(5-6-16-8)15-12-9-3-2-4-11(9)13-7-14-12/h7-8,10H,2-6H2,1H3,(H,13,14,15)
InChIKeyICJLWQGQXKUQRB-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 82727853) is N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC1OCCC1Nc1ncnc2c1CCC2.
What is the InChIKey of N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ICJLWQGQXKUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-10(5-6-16-8)15-12-9-3-2-4-11(9)13-7-14-12/h7-8,10H,2-6H2,1H3,(H,13,14,15).
What are the key properties of N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 82727853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).