3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol

C11H17ClN4O2 — CID 18706837

IUPAC3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol
SMILESNc1nc(Cl)cc(NC(CO)C2CCC(O)C2)n1
InChIInChI=1S/C11H17ClN4O2/c12-9-4-10(16-11(13)15-9)14-8(5-17)6-1-2-7(18)3-6/h4,6-8,17-18H,1-3,5H2,(H3,13,14,15,16)
InChIKeyOCJOVUWFIKODFR-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.65
Rot. Bonds4

About 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol

3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol (PubChem CID 18706837) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol
PubChem CID18706837
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol
SMILESNc1nc(Cl)cc(NC(CO)C2CCC(O)C2)n1
InChIInChI=1S/C11H17ClN4O2/c12-9-4-10(16-11(13)15-9)14-8(5-17)6-1-2-7(18)3-6/h4,6-8,17-18H,1-3,5H2,(H3,13,14,15,16)
InChIKeyOCJOVUWFIKODFR-UHFFFAOYSA-N
XLogP0.65
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol?
The IUPAC name of 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol (CID 18706837) is 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol?
The canonical SMILES for 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol is Nc1nc(Cl)cc(NC(CO)C2CCC(O)C2)n1.
What is the InChIKey of 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol?
The InChIKey is OCJOVUWFIKODFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c12-9-4-10(16-11(13)15-9)14-8(5-17)6-1-2-7(18)3-6/h4,6-8,17-18H,1-3,5H2,(H3,13,14,15,16).
What are the key properties of 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol?
3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol has a molecular weight of 272.74 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol is sourced from PubChem (CID 18706837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).