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

C9H15Cl2N5O — CID 106149395

IUPAC1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H15Cl2N5O/c1-9(17,5-16(2)3)4-12-8-14-6(10)13-7(11)15-8/h17H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyYIAQIGQLVWZDGJ-UHFFFAOYSA-N
MW280.16 g/mol
LogP0.90
Rot. Bonds5

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

1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106149395) has the molecular formula C9H15Cl2N5O and a molecular weight of 280.16 g/mol. Its IUPAC name is 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106149395
Molecular FormulaC9H15Cl2N5O
Molecular Weight280.16 g/mol
Exact Mass279.07
IUPAC Name1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H15Cl2N5O/c1-9(17,5-16(2)3)4-12-8-14-6(10)13-7(11)15-8/h17H,4-5H2,1-3H3,(H,12,13,14,15)
InChIKeyYIAQIGQLVWZDGJ-UHFFFAOYSA-N
XLogP0.90
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106149395) is 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is YIAQIGQLVWZDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2N5O/c1-9(17,5-16(2)3)4-12-8-14-6(10)13-7(11)15-8/h17H,4-5H2,1-3H3,(H,12,13,14,15).
What are the key properties of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 280.16 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106149395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).