N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C19H17FN4O — CID 133295763

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NC2CCOc3ccc(F)cc32)nc(-c2cccnc2)n1
InChIInChI=1S/C19H17FN4O/c1-12-9-18(24-19(22-12)13-3-2-7-21-11-13)23-16-6-8-25-17-5-4-14(20)10-15(16)17/h2-5,7,9-11,16H,6,8H2,1H3,(H,22,23,24)
InChIKeyFGSPLEKBAIYWOO-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.92
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133295763) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133295763
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NC2CCOc3ccc(F)cc32)nc(-c2cccnc2)n1
InChIInChI=1S/C19H17FN4O/c1-12-9-18(24-19(22-12)13-3-2-7-21-11-13)23-16-6-8-25-17-5-4-14(20)10-15(16)17/h2-5,7,9-11,16H,6,8H2,1H3,(H,22,23,24)
InChIKeyFGSPLEKBAIYWOO-UHFFFAOYSA-N
XLogP3.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

6-methyl-N-piperidin-4-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 94075322
N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 131916302
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133295801
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 99828366
2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133367313
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
CID 110750976
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
CID 94158654

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133295763) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(NC2CCOc3ccc(F)cc32)nc(-c2cccnc2)n1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is FGSPLEKBAIYWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-9-18(24-19(22-12)13-3-2-7-21-11-13)23-16-6-8-25-17-5-4-14(20)10-15(16)17/h2-5,7,9-11,16H,6,8H2,1H3,(H,22,23,24).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 336.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133295763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).