4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine

C8H11ClN4O — CID 83240443

IUPAC4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCO2)n1
InChIInChI=1S/C8H11ClN4O/c9-7-11-6(12-8(10)13-7)5-3-1-2-4-14-5/h5H,1-4H2,(H2,10,11,12,13)
InChIKeyCSDMPPNKNBRAOE-UHFFFAOYSA-N
MW214.66 g/mol
LogP1.35
Rot. Bonds1

About 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83240443) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine
PubChem CID83240443
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCO2)n1
InChIInChI=1S/C8H11ClN4O/c9-7-11-6(12-8(10)13-7)5-3-1-2-4-14-5/h5H,1-4H2,(H2,10,11,12,13)
InChIKeyCSDMPPNKNBRAOE-UHFFFAOYSA-N
XLogP1.35
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(tetrahydro-2-furanyl)-
CID 135627
4-(Oxan-2-yl)-1,3,5-triazin-2-amine
CID 91114238
6-(Oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681487
2-(Oxan-2-yl)-1,3,5-triazine
CID 148323283
4-(2-Methyloxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
CID 80680640
4-(2-Methyloxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 80680641
4-Methyl-6-(2-methyloxan-2-yl)-1,3,5-triazin-2-amine
CID 80681742
4-Ethyl-6-(2-methyloxan-2-yl)-1,3,5-triazin-2-amine
CID 80681824
4-Methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
CID 83083906
4-Chloro-6-(5-methyloxolan-2-yl)-1,3,5-triazin-2-amine
CID 83240329
4-Chloro-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83240336
4-Chloro-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 83240457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine (CID 83240443) is 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2CCCCO2)n1.
What is the InChIKey of 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is CSDMPPNKNBRAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-7-11-6(12-8(10)13-7)5-3-1-2-4-14-5/h5H,1-4H2,(H2,10,11,12,13).
What are the key properties of 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 214.66 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(oxan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).