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

C16H20FN5O — CID 58590433

IUPAC6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)[C@H](Nc1nc(N)nc(C(C)(C)F)n1)CCO2
InChIInChI=1S/C16H20FN5O/c1-9-4-5-12-10(8-9)11(6-7-23-12)19-15-21-13(16(2,3)17)20-14(18)22-15/h4-5,8,11H,6-7H2,1-3H3,(H3,18,19,20,21,22)/t11-/m1/s1
InChIKeyWGTHLJFCLNVZBF-LLVKDONJSA-N
MW317.37 g/mol
LogP2.90
Rot. Bonds3

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

6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 58590433) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID58590433
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)[C@H](Nc1nc(N)nc(C(C)(C)F)n1)CCO2
InChIInChI=1S/C16H20FN5O/c1-9-4-5-12-10(8-9)11(6-7-23-12)19-15-21-13(16(2,3)17)20-14(18)22-15/h4-5,8,11H,6-7H2,1-3H3,(H3,18,19,20,21,22)/t11-/m1/s1
InChIKeyWGTHLJFCLNVZBF-LLVKDONJSA-N
XLogP2.90
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

6-(2-fluoropropan-2-yl)-2-N-(7-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 57272589
2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 58590456
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 16750555
6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine
CID 139904923
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774312
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108774344
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
6-ethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine is Cc1ccc2c(c1)[C@H](Nc1nc(N)nc(C(C)(C)F)n1)CCO2.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WGTHLJFCLNVZBF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-9-4-5-12-10(8-9)11(6-7-23-12)19-15-21-13(16(2,3)17)20-14(18)22-15/h4-5,8,11H,6-7H2,1-3H3,(H3,18,19,20,21,22)/t11-/m1/s1.
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 317.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).