4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine

C14H15ClF2N6O — CID 71615704

IUPAC4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cl)c(F)c(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C14H15ClF2N6O/c1-8(12-18-6-9(16)7-19-12)20-14-21-11(15)10(17)13(22-14)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3,(H,20,21,22)/t8-/m0/s1
InChIKeyVQKKWMXWQZDHEU-QMMMGPOBSA-N
MW356.76 g/mol
LogP2.21
Rot. Bonds4

About 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine

4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 71615704) has the molecular formula C14H15ClF2N6O and a molecular weight of 356.76 g/mol. Its IUPAC name is 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID71615704
Molecular FormulaC14H15ClF2N6O
Molecular Weight356.76 g/mol
Exact Mass356.10
IUPAC Name4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cl)c(F)c(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C14H15ClF2N6O/c1-8(12-18-6-9(16)7-19-12)20-14-21-11(15)10(17)13(22-14)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3,(H,20,21,22)/t8-/m0/s1
InChIKeyVQKKWMXWQZDHEU-QMMMGPOBSA-N
XLogP2.21
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine (CID 71615704) is 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine is C[C@H](Nc1nc(Cl)c(F)c(N2CCOCC2)n1)c1ncc(F)cn1.
What is the InChIKey of 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is VQKKWMXWQZDHEU-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15ClF2N6O/c1-8(12-18-6-9(16)7-19-12)20-14-21-11(15)10(17)13(22-14)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3,(H,20,21,22)/t8-/m0/s1.
What are the key properties of 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 356.76 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 71615704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).