4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol

C10H15ClN4O2 — CID 14104444

IUPAC4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESNc1c(Cl)ncnc1NC1CC(O)C(CO)C1
InChIInChI=1S/C10H15ClN4O2/c11-9-8(12)10(14-4-13-9)15-6-1-5(3-16)7(17)2-6/h4-7,16-17H,1-3,12H2,(H,13,14,15)
InChIKeyQBPDMBWHRLVURN-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.26
Rot. Bonds3

About 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol

4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 14104444) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID14104444
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESNc1c(Cl)ncnc1NC1CC(O)C(CO)C1
InChIInChI=1S/C10H15ClN4O2/c11-9-8(12)10(14-4-13-9)15-6-1-5(3-16)7(17)2-6/h4-7,16-17H,1-3,12H2,(H,13,14,15)
InChIKeyQBPDMBWHRLVURN-UHFFFAOYSA-N
XLogP0.26
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol (CID 14104444) is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol is Nc1c(Cl)ncnc1NC1CC(O)C(CO)C1.
What is the InChIKey of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is QBPDMBWHRLVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c11-9-8(12)10(14-4-13-9)15-6-1-5(3-16)7(17)2-6/h4-7,16-17H,1-3,12H2,(H,13,14,15).
What are the key properties of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 258.71 g/mol, XLogP of 0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 14104444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).