6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine

C12H10ClN5O — CID 2725924

IUPAC6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2=Cc3cc(Cl)ccc3OC2)n1
InChIInChI=1S/C12H10ClN5O/c13-8-1-2-9-6(4-8)3-7(5-19-9)10-16-11(14)18-12(15)17-10/h1-4H,5H2,(H4,14,15,16,17,18)
InChIKeyQYTRDWXZPDVSNH-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.62
Rot. Bonds1

About 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine

6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 2725924) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID2725924
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2=Cc3cc(Cl)ccc3OC2)n1
InChIInChI=1S/C12H10ClN5O/c13-8-1-2-9-6(4-8)3-7(5-19-9)10-16-11(14)18-12(15)17-10/h1-4H,5H2,(H4,14,15,16,17,18)
InChIKeyQYTRDWXZPDVSNH-UHFFFAOYSA-N
XLogP1.62
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 826988
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N,N-dipropylamine
CID 826994
4-[(4-Chloro-2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155558408
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-ethylamine
CID 826995
6-(5-chloro-2-methoxyphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 1827385
4-(5-Chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645158
6-[4-(4-Chloro-2-methyl-phenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036399
6-[4-[(3-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 129906767
6-(5-Chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 827431
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N,N-dimethylamine
CID 826976
6-[4-(4-Chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036396
6-(2-Chloro-6-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 2725753

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine (CID 2725924) is 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2=Cc3cc(Cl)ccc3OC2)n1.
What is the InChIKey of 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QYTRDWXZPDVSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-8-1-2-9-6(4-8)3-7(5-19-9)10-16-11(14)18-12(15)17-10/h1-4H,5H2,(H4,14,15,16,17,18).
What are the key properties of 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine?
6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 275.70 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2725924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).