4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H19ClN4O2 — CID 55125282

IUPAC4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCCC2CCCO2)n1
InChIInChI=1S/C12H19ClN4O2/c1-8(2)19-12-16-10(13)15-11(17-12)14-6-5-9-4-3-7-18-9/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyONNBEEHHHLLZSQ-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.29
Rot. Bonds6

About 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 55125282) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID55125282
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCCC2CCCO2)n1
InChIInChI=1S/C12H19ClN4O2/c1-8(2)19-12-16-10(13)15-11(17-12)14-6-5-9-4-3-7-18-9/h8-9H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyONNBEEHHHLLZSQ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62858982
6-chloro-2-N,2-N-diethyl-4-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 62864492
2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868914
6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907
4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106197331
3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106137358
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106405346
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62862594

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 55125282) is 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(NCCC2CCCO2)n1.
What is the InChIKey of 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is ONNBEEHHHLLZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-8(2)19-12-16-10(13)15-11(17-12)14-6-5-9-4-3-7-18-9/h8-9H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 286.76 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55125282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).