[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol

C10H15ClN4O — CID 86814960

IUPAC[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol
SMILESNc1ncnc(N2CCC(CO)CC2)c1Cl
InChIInChI=1S/C10H15ClN4O/c11-8-9(12)13-6-14-10(8)15-3-1-7(5-16)2-4-15/h6-7,16H,1-5H2,(H2,12,13,14)
InChIKeyWAHDZXPCXDWPFD-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.92
Rot. Bonds2

About [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol

[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 86814960) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID86814960
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol
SMILESNc1ncnc(N2CCC(CO)CC2)c1Cl
InChIInChI=1S/C10H15ClN4O/c11-8-9(12)13-6-14-10(8)15-3-1-7(5-16)2-4-15/h6-7,16H,1-5H2,(H2,12,13,14)
InChIKeyWAHDZXPCXDWPFD-UHFFFAOYSA-N
XLogP0.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol (CID 86814960) is [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol is Nc1ncnc(N2CCC(CO)CC2)c1Cl.
What is the InChIKey of [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is WAHDZXPCXDWPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-8-9(12)13-6-14-10(8)15-3-1-7(5-16)2-4-15/h6-7,16H,1-5H2,(H2,12,13,14).
What are the key properties of [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol?
[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 242.71 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 86814960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).