[(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol

C15H24N4O — CID 128563009

IUPAC[(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESOC[C@@H]1CC[C@H](Nc2ccnc(N3CCCCC3)n2)C1
InChIInChI=1S/C15H24N4O/c20-11-12-4-5-13(10-12)17-14-6-7-16-15(18-14)19-8-2-1-3-9-19/h6-7,12-13,20H,1-5,8-11H2,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyATZKLIZCCWQHDH-OLZOCXBDSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds4

About [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol

[(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 128563009) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID128563009
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESOC[C@@H]1CC[C@H](Nc2ccnc(N3CCCCC3)n2)C1
InChIInChI=1S/C15H24N4O/c20-11-12-4-5-13(10-12)17-14-6-7-16-15(18-14)19-8-2-1-3-9-19/h6-7,12-13,20H,1-5,8-11H2,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyATZKLIZCCWQHDH-OLZOCXBDSA-N
XLogP2.04
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol (CID 128563009) is [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol is OC[C@@H]1CC[C@H](Nc2ccnc(N3CCCCC3)n2)C1.
What is the InChIKey of [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is ATZKLIZCCWQHDH-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N4O/c20-11-12-4-5-13(10-12)17-14-6-7-16-15(18-14)19-8-2-1-3-9-19/h6-7,12-13,20H,1-5,8-11H2,(H,16,17,18)/t12-,13+/m1/s1.
What are the key properties of [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol?
[(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 276.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 128563009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).