6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine

C13H13F2N5O — CID 16750555

IUPAC6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N[C@@H]2CCOc3ccccc32)nc(C(F)F)n1
InChIInChI=1S/C13H13F2N5O/c14-10(15)11-18-12(16)20-13(19-11)17-8-5-6-21-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2,(H3,16,17,18,19,20)/t8-/m1/s1
InChIKeyRRSWYJGJJMOAKJ-MRVPVSSYSA-N
MW293.28 g/mol
LogP2.33
Rot. Bonds3

About 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine

6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 16750555) has the molecular formula C13H13F2N5O and a molecular weight of 293.28 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID16750555
Molecular FormulaC13H13F2N5O
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N[C@@H]2CCOc3ccccc32)nc(C(F)F)n1
InChIInChI=1S/C13H13F2N5O/c14-10(15)11-18-12(16)20-13(19-11)17-8-5-6-21-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2,(H3,16,17,18,19,20)/t8-/m1/s1
InChIKeyRRSWYJGJJMOAKJ-MRVPVSSYSA-N
XLogP2.33
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
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
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 58590433
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 115474076
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
CID 115550430
2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80822527
2-N-(3,4-dihydro-2H-chromen-4-yl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383075
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
N-(3,4-dihydro-2H-chromen-4-yl)-5-methoxypyrimidin-2-amine
CID 114600554

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine (CID 16750555) is 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine is Nc1nc(N[C@@H]2CCOc3ccccc32)nc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RRSWYJGJJMOAKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13F2N5O/c14-10(15)11-18-12(16)20-13(19-11)17-8-5-6-21-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2,(H3,16,17,18,19,20)/t8-/m1/s1.
What are the key properties of 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 293.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 16750555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).