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

C10H18N6O — CID 80702647

IUPAC1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C10H18N6O/c1-10(17)2-4-16(5-3-10)6-7-13-8(11)15-9(12)14-7/h17H,2-6H2,1H3,(H4,11,12,13,14,15)
InChIKeyQMJABMULJWHPBR-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.62
Rot. Bonds2

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

1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 80702647) 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]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID80702647
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C10H18N6O/c1-10(17)2-4-16(5-3-10)6-7-13-8(11)15-9(12)14-7/h17H,2-6H2,1H3,(H4,11,12,13,14,15)
InChIKeyQMJABMULJWHPBR-UHFFFAOYSA-N
XLogP-0.62
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.62
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]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol (CID 80702647) is 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol is CC1(O)CCN(Cc2nc(N)nc(N)n2)CC1.
What is the InChIKey of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is QMJABMULJWHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-10(17)2-4-16(5-3-10)6-7-13-8(11)15-9(12)14-7/h17H,2-6H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol?
1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 238.29 g/mol, XLogP of -0.62, 2 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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 80702647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).