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

C19H25FN10O — CID 143753736

IUPAC6-(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
SMILESCCC1CN(c2nc(Nc3cc(C)[nH]n3)nc(NC(C)c3ncc(F)cn3)n2)CCO1
InChIInChI=1S/C19H25FN10O/c1-4-14-10-30(5-6-31-14)19-26-17(23-12(3)16-21-8-13(20)9-22-16)25-18(27-19)24-15-7-11(2)28-29-15/h7-9,12,14H,4-6,10H2,1-3H3,(H3,23,24,25,26,27,28,29)
InChIKeyGAGUEOKMPVKZHS-UHFFFAOYSA-N
MW428.48 g/mol
LogP2.36
Rot. Bonds7

About 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

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 (PubChem CID 143753736) has the molecular formula C19H25FN10O and a molecular weight of 428.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID143753736
Molecular FormulaC19H25FN10O
Molecular Weight428.48 g/mol
Exact Mass428.22
IUPAC Name6-(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
SMILESCCC1CN(c2nc(Nc3cc(C)[nH]n3)nc(NC(C)c3ncc(F)cn3)n2)CCO1
InChIInChI=1S/C19H25FN10O/c1-4-14-10-30(5-6-31-14)19-26-17(23-12(3)16-21-8-13(20)9-22-16)25-18(27-19)24-15-7-11(2)28-29-15/h7-9,12,14H,4-6,10H2,1-3H3,(H3,23,24,25,26,27,28,29)
InChIKeyGAGUEOKMPVKZHS-UHFFFAOYSA-N
XLogP2.36
TPSA129.66 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-[1-(2-phenylethyl)imidazol-4-yl]-1,3,5-triazine-2,4-diamine
CID 67300214
6-chloro-4-N-[5-[2-(3-fluorophenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 87598440
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
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
2-ethyl-4-(5-iodopyrimidin-2-yl)morpholine
CID 104840022
4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 58367411
5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67426021
3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 74426336
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CN(c2nc(Nc3cc(C)[nH]n3)nc(NC(C)c3ncc(F)cn3)n2)CCO1.
What is the InChIKey of 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?
The InChIKey is GAGUEOKMPVKZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN10O/c1-4-14-10-30(5-6-31-14)19-26-17(23-12(3)16-21-8-13(20)9-22-16)25-18(27-19)24-15-7-11(2)28-29-15/h7-9,12,14H,4-6,10H2,1-3H3,(H3,23,24,25,26,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 428.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143753736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).