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

C10H18N6O — CID 114681528

IUPAC1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2nc(N)nc(N)n2)CCC1O
InChIInChI=1S/C10H18N6O/c1-6-4-16(3-2-7(6)17)5-8-13-9(11)15-10(12)14-8/h6-7,17H,2-5H2,1H3,(H4,11,12,13,14,15)
InChIKeyCYYBGFVQJVULBF-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.76
Rot. Bonds2

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

1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114681528) 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]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID114681528
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2nc(N)nc(N)n2)CCC1O
InChIInChI=1S/C10H18N6O/c1-6-4-16(3-2-7(6)17)5-8-13-9(11)15-10(12)14-8/h6-7,17H,2-5H2,1H3,(H4,11,12,13,14,15)
InChIKeyCYYBGFVQJVULBF-UHFFFAOYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787472
1-[4-(4-Hydroxypiperidin-1-yl)-6-methyl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 58012611
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol
CID 47129740
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol
CID 60669690
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]methanol
CID 60669835
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-ol
CID 60670253
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-3-yl]methanol
CID 60702713
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]methanol
CID 60968067
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]methanol
CID 62021578
2-[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-yl]ethanol
CID 62357340
2-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-3-yl]ethanol
CID 62357851

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol (CID 114681528) is 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2nc(N)nc(N)n2)CCC1O.
What is the InChIKey of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is CYYBGFVQJVULBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-6-4-16(3-2-7(6)17)5-8-13-9(11)15-10(12)14-8/h6-7,17H,2-5H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol?
1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 238.29 g/mol, XLogP of -0.76, 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]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).