[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol

C10H18N6O — CID 60669835

IUPAC[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol
SMILESNc1nc(N)nc(CN2CCCC(CO)C2)n1
InChIInChI=1S/C10H18N6O/c11-9-13-8(14-10(12)15-9)5-16-3-1-2-7(4-16)6-17/h7,17H,1-6H2,(H4,11,12,13,14,15)
InChIKeyUDVDQRPRICADGY-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.76
Rot. Bonds3

About [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol

[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 60669835) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID60669835
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol
SMILESNc1nc(N)nc(CN2CCCC(CO)C2)n1
InChIInChI=1S/C10H18N6O/c11-9-13-8(14-10(12)15-9)5-16-3-1-2-7(4-16)6-17/h7,17H,1-6H2,(H4,11,12,13,14,15)
InChIKeyUDVDQRPRICADGY-UHFFFAOYSA-N
XLogP-0.76
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol (CID 60669835) is [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol is Nc1nc(N)nc(CN2CCCC(CO)C2)n1.
What is the InChIKey of [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is UDVDQRPRICADGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c11-9-13-8(14-10(12)15-9)5-16-3-1-2-7(4-16)6-17/h7,17H,1-6H2,(H4,11,12,13,14,15).
What are the key properties of [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol?
[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 238.29 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60669835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).