4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine

C12H13ClN4O — CID 94884256

IUPAC4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C12H13ClN4O/c1-8(9-6-4-3-5-7-9)14-11-15-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,14,15,16,17)/t8-/m1/s1
InChIKeyLXBWEXOPIRNRIB-MRVPVSSYSA-N
MW264.72 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine (PubChem CID 94884256) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
PubChem CID94884256
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C12H13ClN4O/c1-8(9-6-4-3-5-7-9)14-11-15-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,14,15,16,17)/t8-/m1/s1
InChIKeyLXBWEXOPIRNRIB-MRVPVSSYSA-N
XLogP2.71
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine (CID 94884256) is 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N[C@H](C)c2ccccc2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine?
The InChIKey is LXBWEXOPIRNRIB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8(9-6-4-3-5-7-9)14-11-15-10(13)16-12(17-11)18-2/h3-8H,1-2H3,(H,14,15,16,17)/t8-/m1/s1.
What are the key properties of 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 94884256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).