2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

C20H23F3N8O2 — CID 46175641

IUPAC2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCOC[C@H](Nc1nc(Nc2cn(C)cn2)c(F)c(N2CCOCC2)n1)c1ncc(F)cc1F
InChIInChI=1S/C20H23F3N8O2/c1-30-9-15(25-11-30)27-18-16(23)19(31-3-5-33-6-4-31)29-20(28-18)26-14(10-32-2)17-13(22)7-12(21)8-24-17/h7-9,11,14H,3-6,10H2,1-2H3,(H2,26,27,28,29)/t14-/m0/s1
InChIKeyDRICLMQTSKXTFI-AWEZNQCLSA-N
MW464.45 g/mol
LogP2.40
Rot. Bonds8

About 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 46175641) has the molecular formula C20H23F3N8O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID46175641
Molecular FormulaC20H23F3N8O2
Molecular Weight464.45 g/mol
Exact Mass464.19
IUPAC Name2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCOC[C@H](Nc1nc(Nc2cn(C)cn2)c(F)c(N2CCOCC2)n1)c1ncc(F)cc1F
InChIInChI=1S/C20H23F3N8O2/c1-30-9-15(25-11-30)27-18-16(23)19(31-3-5-33-6-4-31)29-20(28-18)26-14(10-32-2)17-13(22)7-12(21)8-24-17/h7-9,11,14H,3-6,10H2,1-2H3,(H2,26,27,28,29)/t14-/m0/s1
InChIKeyDRICLMQTSKXTFI-AWEZNQCLSA-N
XLogP2.40
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 46175641) is 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine is COC[C@H](Nc1nc(Nc2cn(C)cn2)c(F)c(N2CCOCC2)n1)c1ncc(F)cc1F.
What is the InChIKey of 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is DRICLMQTSKXTFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23F3N8O2/c1-30-9-15(25-11-30)27-18-16(23)19(31-3-5-33-6-4-31)29-20(28-18)26-14(10-32-2)17-13(22)7-12(21)8-24-17/h7-9,11,14H,3-6,10H2,1-2H3,(H2,26,27,28,29)/t14-/m0/s1.
What are the key properties of 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 464.45 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 46175641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).