[hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol

C14H25N5O4 — CID 87917741

IUPAC[hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol
SMILESCON(CO)c1nc(C2CCC(C)CC2)nc(N(CO)CO)n1
InChIInChI=1S/C14H25N5O4/c1-10-3-5-11(6-4-10)12-15-13(18(7-20)8-21)17-14(16-12)19(9-22)23-2/h10-11,20-22H,3-9H2,1-2H3
InChIKeyJKRNJENHPQEQRC-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.19
Rot. Bonds7

About [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol

[hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol (PubChem CID 87917741) has the molecular formula C14H25N5O4 and a molecular weight of 327.39 g/mol. Its IUPAC name is [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol.

Molecular Properties

Compound Name[hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol
PubChem CID87917741
Molecular FormulaC14H25N5O4
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Name[hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol
SMILESCON(CO)c1nc(C2CCC(C)CC2)nc(N(CO)CO)n1
InChIInChI=1S/C14H25N5O4/c1-10-3-5-11(6-4-10)12-15-13(18(7-20)8-21)17-14(16-12)19(9-22)23-2/h10-11,20-22H,3-9H2,1-2H3
InChIKeyJKRNJENHPQEQRC-UHFFFAOYSA-N
XLogP0.19
TPSA115.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol?
The IUPAC name of [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol (CID 87917741) is [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol.
What is the SMILES notation for [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol?
The canonical SMILES for [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol is CON(CO)c1nc(C2CCC(C)CC2)nc(N(CO)CO)n1.
What is the InChIKey of [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol?
The InChIKey is JKRNJENHPQEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O4/c1-10-3-5-11(6-4-10)12-15-13(18(7-20)8-21)17-14(16-12)19(9-22)23-2/h10-11,20-22H,3-9H2,1-2H3.
What are the key properties of [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol?
[hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol has a molecular weight of 327.39 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxymethyl-[4-[hydroxymethyl(methoxy)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]methanol is sourced from PubChem (CID 87917741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).