ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine

C23H28FN5O3 — CID 169200687

IUPACethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCC.COc1ncc(-c2ccc(OCF)cc2)cc1Nc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C21H22FN5O3.C2H6/c1-28-20-18(12-16(13-24-20)15-2-4-17(5-3-15)30-14-22)25-19-6-7-23-21(26-19)27-8-10-29-11-9-27;1-2/h2-7,12-13H,8-11,14H2,1H3,(H,23,25,26);1-2H3
InChIKeyIAOVOIBPJJDVMQ-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.46
Rot. Bonds7

About ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine

ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 169200687) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Nameethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID169200687
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Nameethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCC.COc1ncc(-c2ccc(OCF)cc2)cc1Nc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C21H22FN5O3.C2H6/c1-28-20-18(12-16(13-24-20)15-2-4-17(5-3-15)30-14-22)25-19-6-7-23-21(26-19)27-8-10-29-11-9-27;1-2/h2-7,12-13H,8-11,14H2,1H3,(H,23,25,26);1-2H3
InChIKeyIAOVOIBPJJDVMQ-UHFFFAOYSA-N
XLogP4.46
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.46
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-fluoropiperidin-1-yl)pyrimidin-4-amine;ethane
CID 169200961
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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 176801044
N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886594
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one
CID 176801067
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112886627
2-morpholin-4-yl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112886621
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrimidin-4-amine
CID 169200639
5-[4-(fluoromethoxy)phenyl]-N-(3-fluoro-6-morpholin-4-yl-2-pyridinyl)pyridazin-3-amine
CID 169200223
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 169200687) is ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine is CC.COc1ncc(-c2ccc(OCF)cc2)cc1Nc1ccnc(N2CCOCC2)n1.
What is the InChIKey of ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is IAOVOIBPJJDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3.C2H6/c1-28-20-18(12-16(13-24-20)15-2-4-17(5-3-15)30-14-22)25-19-6-7-23-21(26-19)27-8-10-29-11-9-27;1-2/h2-7,12-13H,8-11,14H2,1H3,(H,23,25,26);1-2H3.
What are the key properties of ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 441.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 169200687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).