2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C18H21F2N9O — CID 71030528

IUPAC2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCOC1CN(c2nc(Nc3cc(C)[nH]n3)nc(NC(C)c3ncc(F)cc3F)n2)C1
InChIInChI=1S/C18H21F2N9O/c1-9-4-14(28-27-9)23-17-24-16(25-18(26-17)29-7-12(8-29)30-3)22-10(2)15-13(20)5-11(19)6-21-15/h4-6,10,12H,7-8H2,1-3H3,(H3,22,23,24,25,26,27,28)
InChIKeyUABBZCXYWBEMGD-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.33
Rot. Bonds7

About 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 71030528) has the molecular formula C18H21F2N9O and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID71030528
Molecular FormulaC18H21F2N9O
Molecular Weight417.42 g/mol
Exact Mass417.18
IUPAC Name2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCOC1CN(c2nc(Nc3cc(C)[nH]n3)nc(NC(C)c3ncc(F)cc3F)n2)C1
InChIInChI=1S/C18H21F2N9O/c1-9-4-14(28-27-9)23-17-24-16(25-18(26-17)29-7-12(8-29)30-3)22-10(2)15-13(20)5-11(19)6-21-15/h4-6,10,12H,7-8H2,1-3H3,(H3,22,23,24,25,26,27,28)
InChIKeyUABBZCXYWBEMGD-UHFFFAOYSA-N
XLogP2.33
TPSA116.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 67017235
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 67300476
6-(2-ethylmorpholin-4-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 143753736
4-N-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25103039
1-[5-fluoro-6-[1-(5-fluoropyrimidin-2-yl)ethoxy]-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 25104724
2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 67300318
1-[5-fluoro-6-[1-(5-fluoropyrimidin-2-yl)ethoxy]-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidine-4-carbonitrile
CID 25104722
N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
CID 145307245
4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-6-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethoxy]-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
CID 69264722
4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidine-2,4-diamine
CID 154362330
5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 68947236
4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
CID 71615708

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 71030528) is 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is COC1CN(c2nc(Nc3cc(C)[nH]n3)nc(NC(C)c3ncc(F)cc3F)n2)C1.
What is the InChIKey of 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UABBZCXYWBEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N9O/c1-9-4-14(28-27-9)23-17-24-16(25-18(26-17)29-7-12(8-29)30-3)22-10(2)15-13(20)5-11(19)6-21-15/h4-6,10,12H,7-8H2,1-3H3,(H3,22,23,24,25,26,27,28).
What are the key properties of 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 417.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71030528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).