6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine

C12H14ClN5O — CID 80755806

IUPAC6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C12H14ClN5O/c1-7(2)19-9-5-3-8(4-6-9)15-12-17-10(13)16-11(14)18-12/h3-7H,1-2H3,(H3,14,15,16,17,18)
InChIKeyVJAVSTBCISODCK-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.64
Rot. Bonds4

About 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80755806) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80755806
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C12H14ClN5O/c1-7(2)19-9-5-3-8(4-6-9)15-12-17-10(13)16-11(14)18-12/h3-7H,1-2H3,(H3,14,15,16,17,18)
InChIKeyVJAVSTBCISODCK-UHFFFAOYSA-N
XLogP2.64
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol
CID 175988761
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
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
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80760660
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
6-chloro-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80759434
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 80919860
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
5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 83736723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine (CID 80755806) is 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine is CC(C)Oc1ccc(Nc2nc(N)nc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VJAVSTBCISODCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7(2)19-9-5-3-8(4-6-9)15-12-17-10(13)16-11(14)18-12/h3-7H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80755806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).