N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

C12H13ClN4O3 — CID 975799

IUPACN-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(OC)n1
InChIInChI=1S/C12H13ClN4O3/c1-18-9-5-4-7(6-8(9)13)14-10-15-11(19-2)17-12(16-10)20-3/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyGICVTFYKGKMNFM-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.29
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 975799) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID975799
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(OC)n1
InChIInChI=1S/C12H13ClN4O3/c1-18-9-5-4-7(6-8(9)13)14-10-15-11(19-2)17-12(16-10)20-3/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyGICVTFYKGKMNFM-UHFFFAOYSA-N
XLogP2.29
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 975799) is N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(Nc2ccc(OC)c(Cl)c2)nc(OC)n1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is GICVTFYKGKMNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c1-18-9-5-4-7(6-8(9)13)14-10-15-11(19-2)17-12(16-10)20-3/h4-6H,1-3H3,(H,14,15,16,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 296.71 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 975799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).