[2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol

C10H15ClN4O — CID 85231049

IUPAC[2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESNc1c(Cl)ncnc1NC1CCCC1CO
InChIInChI=1S/C10H15ClN4O/c11-9-8(12)10(14-5-13-9)15-7-3-1-2-6(7)4-16/h5-7,16H,1-4,12H2,(H,13,14,15)
InChIKeyLPNJZOAJVSDMJB-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.29
Rot. Bonds3

About [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol

[2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 85231049) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID85231049
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name[2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESNc1c(Cl)ncnc1NC1CCCC1CO
InChIInChI=1S/C10H15ClN4O/c11-9-8(12)10(14-5-13-9)15-7-3-1-2-6(7)4-16/h5-7,16H,1-4,12H2,(H,13,14,15)
InChIKeyLPNJZOAJVSDMJB-UHFFFAOYSA-N
XLogP1.29
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol (CID 85231049) is [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol is Nc1c(Cl)ncnc1NC1CCCC1CO.
What is the InChIKey of [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is LPNJZOAJVSDMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-9-8(12)10(14-5-13-9)15-7-3-1-2-6(7)4-16/h5-7,16H,1-4,12H2,(H,13,14,15).
What are the key properties of [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol?
[2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 242.71 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 85231049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).