3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol

C9H14Cl2N4O — CID 65108708

IUPAC3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4O/c1-3-9(16,4-2)5-12-8-14-6(10)13-7(11)15-8/h16H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyHPCIPHOKVNYWBA-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.14
Rot. Bonds5

About 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol

3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol (PubChem CID 65108708) has the molecular formula C9H14Cl2N4O and a molecular weight of 265.14 g/mol. Its IUPAC name is 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
PubChem CID65108708
Molecular FormulaC9H14Cl2N4O
Molecular Weight265.14 g/mol
Exact Mass264.05
IUPAC Name3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4O/c1-3-9(16,4-2)5-12-8-14-6(10)13-7(11)15-8/h16H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyHPCIPHOKVNYWBA-UHFFFAOYSA-N
XLogP2.14
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149395
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 115355171
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
CID 80842330
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 79072822
4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
CID 6430811
4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
CID 114156465
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
4,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106293429

Frequently Asked Questions

What is the IUPAC name of 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol (CID 65108708) is 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol?
The InChIKey is HPCIPHOKVNYWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4O/c1-3-9(16,4-2)5-12-8-14-6(10)13-7(11)15-8/h16H,3-5H2,1-2H3,(H,12,13,14,15).
What are the key properties of 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol?
3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol has a molecular weight of 265.14 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65108708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).