[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol

C11H18N4O — CID 80757639

IUPAC[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCc1cnc(N)nc1N1CCC(CO)CC1
InChIInChI=1S/C11H18N4O/c1-8-6-13-11(12)14-10(8)15-4-2-9(7-16)3-5-15/h6,9,16H,2-5,7H2,1H3,(H2,12,13,14)
InChIKeyHQSJAZBTELVOGC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds2

About [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol

[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 80757639) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID80757639
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCc1cnc(N)nc1N1CCC(CO)CC1
InChIInChI=1S/C11H18N4O/c1-8-6-13-11(12)14-10(8)15-4-2-9(7-16)3-5-15/h6,9,16H,2-5,7H2,1H3,(H2,12,13,14)
InChIKeyHQSJAZBTELVOGC-UHFFFAOYSA-N
XLogP0.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol (CID 80757639) is [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol is Cc1cnc(N)nc1N1CCC(CO)CC1.
What is the InChIKey of [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is HQSJAZBTELVOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-13-11(12)14-10(8)15-4-2-9(7-16)3-5-15/h6,9,16H,2-5,7H2,1H3,(H2,12,13,14).
What are the key properties of [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol?
[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 80757639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).