N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine

C23H25F2N5O3 — CID 176801044

IUPACN-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
SMILESCOc1ncc(-c2ccc(OC(F)F)cc2)cc1Nc1ccnc(N2C[C@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C23H25F2N5O3/c1-14-12-30(13-15(2)32-14)23-26-9-8-20(29-23)28-19-10-17(11-27-21(19)31-3)16-4-6-18(7-5-16)33-22(24)25/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,28,29)/t14-,15-/m0/s1
InChIKeySWZPALCUWAVBLH-GJZGRUSLSA-N
MW457.48 g/mol
LogP4.51
Rot. Bonds7

About N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine

N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine (PubChem CID 176801044) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
PubChem CID176801044
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC NameN-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
SMILESCOc1ncc(-c2ccc(OC(F)F)cc2)cc1Nc1ccnc(N2C[C@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C23H25F2N5O3/c1-14-12-30(13-15(2)32-14)23-26-9-8-20(29-23)28-19-10-17(11-27-21(19)31-3)16-4-6-18(7-5-16)33-22(24)25/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,28,29)/t14-,15-/m0/s1
InChIKeySWZPALCUWAVBLH-GJZGRUSLSA-N
XLogP4.51
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 176800995
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-fluoropiperidin-1-yl)pyrimidin-4-amine;ethane
CID 169200961
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrimidin-4-amine
CID 169200639
ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 169200687
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine
CID 169200316
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 171576676
3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one
CID 169200496
N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 171576688
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(2-fluoro-4-methoxyphenyl)pyridazin-3-yl]pyrimidin-4-amine
CID 169200487
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 169200837
5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane
CID 169200353
4-N-[5-[4-(difluoromethoxy)phenyl]-2-fluoro-3-pyridinyl]-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine;ethane
CID 169200659

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine (CID 176801044) is N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine is COc1ncc(-c2ccc(OC(F)F)cc2)cc1Nc1ccnc(N2C[C@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The InChIKey is SWZPALCUWAVBLH-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-14-12-30(13-15(2)32-14)23-26-9-8-20(29-23)28-19-10-17(11-27-21(19)31-3)16-4-6-18(7-5-16)33-22(24)25/h4-11,14-15,22H,12-13H2,1-3H3,(H,26,28,29)/t14-,15-/m0/s1.
What are the key properties of N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine has a molecular weight of 457.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 176801044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).