[(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol

C11H17N3O — CID 166924143

IUPAC[(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCc1nccc(N[C@H]2CCC(CO)C2)n1
InChIInChI=1S/C11H17N3O/c1-8-12-5-4-11(13-8)14-10-3-2-9(6-10)7-15/h4-5,9-10,15H,2-3,6-7H2,1H3,(H,12,13,14)/t9?,10-/m0/s1
InChIKeyLQEXHMVQVVVXEF-AXDSSHIGSA-N
MW207.28 g/mol
LogP1.36
Rot. Bonds3

About [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol

[(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 166924143) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID166924143
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCc1nccc(N[C@H]2CCC(CO)C2)n1
InChIInChI=1S/C11H17N3O/c1-8-12-5-4-11(13-8)14-10-3-2-9(6-10)7-15/h4-5,9-10,15H,2-3,6-7H2,1H3,(H,12,13,14)/t9?,10-/m0/s1
InChIKeyLQEXHMVQVVVXEF-AXDSSHIGSA-N
XLogP1.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol (CID 166924143) is [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol is Cc1nccc(N[C@H]2CCC(CO)C2)n1.
What is the InChIKey of [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is LQEXHMVQVVVXEF-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-12-5-4-11(13-8)14-10-3-2-9(6-10)7-15/h4-5,9-10,15H,2-3,6-7H2,1H3,(H,12,13,14)/t9?,10-/m0/s1.
What are the key properties of [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol?
[(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 207.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2-methylpyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 166924143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).