4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine

C12H19ClN4O2 — CID 80879481

IUPAC4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OCC2CCOCC2)n1
InChIInChI=1S/C12H19ClN4O2/c1-2-5-14-11-15-10(13)16-12(17-11)19-8-9-3-6-18-7-4-9/h9H,2-8H2,1H3,(H,14,15,16,17)
InChIKeyHFILVJIPTVPQHO-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.15
Rot. Bonds6

About 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80879481) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80879481
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OCC2CCOCC2)n1
InChIInChI=1S/C12H19ClN4O2/c1-2-5-14-11-15-10(13)16-12(17-11)19-8-9-3-6-18-7-4-9/h9H,2-8H2,1H3,(H,14,15,16,17)
InChIKeyHFILVJIPTVPQHO-UHFFFAOYSA-N
XLogP2.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80867584
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80880911
6-chloro-2-N-methyl-2-N-(oxan-4-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80845641
4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
CID 80861079
4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63705913
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
4-chloro-N-(2-morpholin-4-ylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62870405
4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80889258
6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
CID 114787653

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine (CID 80879481) is 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(OCC2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is HFILVJIPTVPQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-2-5-14-11-15-10(13)16-12(17-11)19-8-9-3-6-18-7-4-9/h9H,2-8H2,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 286.76 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80879481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).