2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine

C22H29F2N9O2 — CID 143908420

IUPAC2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCC[C@H](Nc1nc(Nc2cn(C)cn2)nc(N2C[C@@H](C)O[C@@H](C)C2)n1)c1ncc(F)cc1F
InChIInChI=1S/C22H29F2N9O2/c1-13-9-33(10-14(2)35-13)22-30-20(29-21(31-22)28-18-11-32(3)12-26-18)27-17(5-6-34-4)19-16(24)7-15(23)8-25-19/h7-8,11-14,17H,5-6,9-10H2,1-4H3,(H2,27,28,29,30,31)/t13-,14+,17-/m0/s1
InChIKeyDTUYZRDKEIMAMH-VBQJREDUSA-N
MW489.53 g/mol
LogP2.83
Rot. Bonds9

About 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine

2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 143908420) has the molecular formula C22H29F2N9O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID143908420
Molecular FormulaC22H29F2N9O2
Molecular Weight489.53 g/mol
Exact Mass489.24
IUPAC Name2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCC[C@H](Nc1nc(Nc2cn(C)cn2)nc(N2C[C@@H](C)O[C@@H](C)C2)n1)c1ncc(F)cc1F
InChIInChI=1S/C22H29F2N9O2/c1-13-9-33(10-14(2)35-13)22-30-20(29-21(31-22)28-18-11-32(3)12-26-18)27-17(5-6-34-4)19-16(24)7-15(23)8-25-19/h7-8,11-14,17H,5-6,9-10H2,1-4H3,(H2,27,28,29,30,31)/t13-,14+,17-/m0/s1
InChIKeyDTUYZRDKEIMAMH-VBQJREDUSA-N
XLogP2.83
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 143908420) is 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine is COCC[C@H](Nc1nc(Nc2cn(C)cn2)nc(N2C[C@@H](C)O[C@@H](C)C2)n1)c1ncc(F)cc1F.
What is the InChIKey of 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DTUYZRDKEIMAMH-VBQJREDUSA-N. The full InChI is InChI=1S/C22H29F2N9O2/c1-13-9-33(10-14(2)35-13)22-30-20(29-21(31-22)28-18-11-32(3)12-26-18)27-17(5-6-34-4)19-16(24)7-15(23)8-25-19/h7-8,11-14,17H,5-6,9-10H2,1-4H3,(H2,27,28,29,30,31)/t13-,14+,17-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 489.53 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)-3-methoxypropyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 143908420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).