2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine

C16H18ClF2N5O2 — CID 87758133

IUPAC2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOCC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1
InChIInChI=1S/C16H18ClF2N5O2/c1-25-9-12(11-3-2-10(18)8-20-11)21-14-13(19)15(23-16(17)22-14)24-4-6-26-7-5-24/h2-3,8,12H,4-7,9H2,1H3,(H,21,22,23)
InChIKeyDIERHELJOZDBQS-UHFFFAOYSA-N
MW385.80 g/mol
LogP2.44
Rot. Bonds6

About 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine

2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 87758133) has the molecular formula C16H18ClF2N5O2 and a molecular weight of 385.80 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID87758133
Molecular FormulaC16H18ClF2N5O2
Molecular Weight385.80 g/mol
Exact Mass385.11
IUPAC Name2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOCC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1
InChIInChI=1S/C16H18ClF2N5O2/c1-25-9-12(11-3-2-10(18)8-20-11)21-14-13(19)15(23-16(17)22-14)24-4-6-26-7-5-24/h2-3,8,12H,4-7,9H2,1H3,(H,21,22,23)
InChIKeyDIERHELJOZDBQS-UHFFFAOYSA-N
XLogP2.44
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-5-fluoro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 71612929
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
2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 87758271
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
5-fluoro-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 75162298
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 50993882
4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine
CID 71612925
1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol
CID 86711745
1-[2-chloro-6-[[2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]amino]-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 87758181
1-(5-fluoro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 83117663
4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
CID 71615708
5-fluoro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1,3-thiazol-2-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25052652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 87758133) is 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine is COCC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1.
What is the InChIKey of 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is DIERHELJOZDBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N5O2/c1-25-9-12(11-3-2-10(18)8-20-11)21-14-13(19)15(23-16(17)22-14)24-4-6-26-7-5-24/h2-3,8,12H,4-7,9H2,1H3,(H,21,22,23).
What are the key properties of 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 385.80 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 87758133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).