6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C12H14ClN5 — CID 790766

IUPAC6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H14ClN5/c1-8(2)14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChIKeyGLIWCUXRQXXJHM-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.09
Rot. Bonds4

About 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 790766) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID790766
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H14ClN5/c1-8(2)14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChIKeyGLIWCUXRQXXJHM-UHFFFAOYSA-N
XLogP3.09
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Chlorazanil
CID 10374
Amanozine
CID 10832
Melarsen oxide
CID 30830
Melarsomine Dihydrochloride
CID 123720
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34942
Melarsomine
CID 65962
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
Stk064997
CID 778562
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
N-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 2730248
2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2737693

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 790766) is 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GLIWCUXRQXXJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-8(2)14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 263.73 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 790766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).