4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H19ClN4O2 — CID 82748110

IUPAC4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(N(C)C2CCOC2C)n1
InChIInChI=1S/C12H19ClN4O2/c1-7(2)19-12-15-10(13)14-11(16-12)17(4)9-5-6-18-8(9)3/h7-9H,5-6H2,1-4H3
InChIKeyUEBMXNBXTGNUPS-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.93
Rot. Bonds4

About 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 82748110) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID82748110
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(N(C)C2CCOC2C)n1
InChIInChI=1S/C12H19ClN4O2/c1-7(2)19-12-15-10(13)14-11(16-12)17(4)9-5-6-18-8(9)3/h7-9H,5-6H2,1-4H3
InChIKeyUEBMXNBXTGNUPS-UHFFFAOYSA-N
XLogP1.93
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 82748110) is 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(N(C)C2CCOC2C)n1.
What is the InChIKey of 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is UEBMXNBXTGNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-7(2)19-12-15-10(13)14-11(16-12)17(4)9-5-6-18-8(9)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 286.76 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 82748110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).