4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol

C10H16ClN5O2 — CID 114954159

IUPAC4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C10H16ClN5O2/c1-16(6-10(17)2-4-18-5-3-10)9-14-7(11)13-8(12)15-9/h17H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyHUXDOFCZTWBDRQ-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.08
Rot. Bonds3

About 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol

4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114954159) has the molecular formula C10H16ClN5O2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114954159
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C10H16ClN5O2/c1-16(6-10(17)2-4-18-5-3-10)9-14-7(11)13-8(12)15-9/h17H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyHUXDOFCZTWBDRQ-UHFFFAOYSA-N
XLogP0.08
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954173
4-[(4,6-diamino-3-chloro-2-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 103553535
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951004
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739
methyl 4-chloro-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-thiazole-5-carboxylate
CID 114951069
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol (CID 114954159) is 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is HUXDOFCZTWBDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-16(6-10(17)2-4-18-5-3-10)9-14-7(11)13-8(12)15-9/h17H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol?
4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 273.72 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114954159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).