[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol

C13H19N3O — CID 62833166

IUPAC[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol
SMILESOCC1(Nc2ncnc3c2CCC3)CCCC1
InChIInChI=1S/C13H19N3O/c17-8-13(6-1-2-7-13)16-12-10-4-3-5-11(10)14-9-15-12/h9,17H,1-8H2,(H,14,15,16)
InChIKeyMIJGQNJCDFYKQD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.68
Rot. Bonds3

About [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol

[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol (PubChem CID 62833166) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol
PubChem CID62833166
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol
SMILESOCC1(Nc2ncnc3c2CCC3)CCCC1
InChIInChI=1S/C13H19N3O/c17-8-13(6-1-2-7-13)16-12-10-4-3-5-11(10)14-9-15-12/h9,17H,1-8H2,(H,14,15,16)
InChIKeyMIJGQNJCDFYKQD-UHFFFAOYSA-N
XLogP1.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol?
The IUPAC name of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol (CID 62833166) is [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol is OCC1(Nc2ncnc3c2CCC3)CCCC1.
What is the InChIKey of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol?
The InChIKey is MIJGQNJCDFYKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-8-13(6-1-2-7-13)16-12-10-4-3-5-11(10)14-9-15-12/h9,17H,1-8H2,(H,14,15,16).
What are the key properties of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol?
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol has a molecular weight of 233.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 62833166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).