4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine

C15H15ClF3N5O — CID 71615708

IUPAC4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cl)c(F)c(N2CCOCC2)n1)c1ncc(F)cc1F
InChIInChI=1S/C15H15ClF3N5O/c1-8(12-10(18)6-9(17)7-20-12)21-15-22-13(16)11(19)14(23-15)24-2-4-25-5-3-24/h6-8H,2-5H2,1H3,(H,21,22,23)/t8-/m0/s1
InChIKeyRVYKTAVKSQDSFA-QMMMGPOBSA-N
MW373.77 g/mol
LogP2.95
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine

4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 71615708) has the molecular formula C15H15ClF3N5O and a molecular weight of 373.77 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID71615708
Molecular FormulaC15H15ClF3N5O
Molecular Weight373.77 g/mol
Exact Mass373.09
IUPAC Name4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cl)c(F)c(N2CCOCC2)n1)c1ncc(F)cc1F
InChIInChI=1S/C15H15ClF3N5O/c1-8(12-10(18)6-9(17)7-20-12)21-15-22-13(16)11(19)14(23-15)24-2-4-25-5-3-24/h6-8H,2-5H2,1H3,(H,21,22,23)/t8-/m0/s1
InChIKeyRVYKTAVKSQDSFA-QMMMGPOBSA-N
XLogP2.95
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine (CID 71615708) is 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine is C[C@H](Nc1nc(Cl)c(F)c(N2CCOCC2)n1)c1ncc(F)cc1F.
What is the InChIKey of 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is RVYKTAVKSQDSFA-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H15ClF3N5O/c1-8(12-10(18)6-9(17)7-20-12)21-15-22-13(16)11(19)14(23-15)24-2-4-25-5-3-24/h6-8H,2-5H2,1H3,(H,21,22,23)/t8-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine?
4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 373.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 71615708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).