4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile

C16H17FN6O — CID 57028040

IUPAC4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESCC(C)(F)c1nc(N)nc(NC2CCOc3cc(C#N)ccc32)n1
InChIInChI=1S/C16H17FN6O/c1-16(2,17)13-21-14(19)23-15(22-13)20-11-5-6-24-12-7-9(8-18)3-4-10(11)12/h3-4,7,11H,5-6H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyDOZKYCMKXUDCGN-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.47
Rot. Bonds3

About 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile

4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile (PubChem CID 57028040) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile.

Molecular Properties

Compound Name4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile
PubChem CID57028040
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESCC(C)(F)c1nc(N)nc(NC2CCOc3cc(C#N)ccc32)n1
InChIInChI=1S/C16H17FN6O/c1-16(2,17)13-21-14(19)23-15(22-13)20-11-5-6-24-12-7-9(8-18)3-4-10(11)12/h3-4,7,11H,5-6H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyDOZKYCMKXUDCGN-UHFFFAOYSA-N
XLogP2.47
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-((4-(2-Fluoro-5-methoxyphenyl)-6-(isopropylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile
CID 117799404
N-[4-[4-(3-ethoxyphenyl)butan-2-ylamino]-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide
CID 53831548
6-(2-fluoropropan-2-yl)-2-N-(5-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 57140770
2-N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 57221183
2-N-(7-bromo-3,4-dihydro-2H-chromen-4-yl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 57242395
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
6-(difluoromethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 57462537
21-Methylidene-5-(2,2,2-trifluoroethoxy)-15-oxa-4,6,8,20,28-pentazatetracyclo[20.2.2.13,7.110,14]octacosa-1(24),3(28),4,6,10(27),11,13,22,25-nonaene
CID 58222993
2-N-(7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 58590388
6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 58590397
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 58590412
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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The IUPAC name of 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile (CID 57028040) is 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile.
What is the SMILES notation for 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The canonical SMILES for 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile is CC(C)(F)c1nc(N)nc(NC2CCOc3cc(C#N)ccc32)n1.
What is the InChIKey of 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The InChIKey is DOZKYCMKXUDCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-16(2,17)13-21-14(19)23-15(22-13)20-11-5-6-24-12-7-9(8-18)3-4-10(11)12/h3-4,7,11H,5-6H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile has a molecular weight of 328.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile is sourced from PubChem (CID 57028040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).