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

C12H12ClN5O — CID 80826648

IUPAC6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C12H12ClN5O/c13-10-16-11(14)18-12(17-10)15-8-5-6-19-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H3,14,15,16,17,18)
InChIKeyBHRTXWHUNKMYCE-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.04
Rot. Bonds2

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

6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80826648) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80826648
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C12H12ClN5O/c13-10-16-11(14)18-12(17-10)15-8-5-6-19-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H3,14,15,16,17,18)
InChIKeyBHRTXWHUNKMYCE-UHFFFAOYSA-N
XLogP2.04
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 16750555
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 115474076
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383075
N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
CID 114600554
2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
CID 83077158

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine (CID 80826648) is 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NC2CCOc3ccccc32)n1.
What is the InChIKey of 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BHRTXWHUNKMYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c13-10-16-11(14)18-12(17-10)15-8-5-6-19-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H3,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 277.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80826648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).