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

C13H15ClN4O2 — CID 62870184

IUPAC4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1
InChIInChI=1S/C13H15ClN4O2/c1-8(2)20-13-17-11(14)16-12(18-13)15-9-4-6-10(19-3)7-5-9/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeyVABWUAGUDCREIB-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.06
Rot. Bonds5

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

4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62870184) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62870184
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1
InChIInChI=1S/C13H15ClN4O2/c1-8(2)20-13-17-11(14)16-12(18-13)15-9-4-6-10(19-3)7-5-9/h4-8H,1-3H3,(H,15,16,17,18)
InChIKeyVABWUAGUDCREIB-UHFFFAOYSA-N
XLogP3.06
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82860928
4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864106
N-(3-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547878
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
CID 59860984
4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63550284
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
CID 102176522

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62870184) is 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is VABWUAGUDCREIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-8(2)20-13-17-11(14)16-12(18-13)15-9-4-6-10(19-3)7-5-9/h4-8H,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 294.74 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).