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

C14H15ClF2N6O — CID 78133178

IUPAC2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cn1
InChIInChI=1S/C14H15ClF2N6O/c1-8(11-18-6-9(16)7-19-11)20-12-10(17)13(22-14(15)21-12)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3,(H,20,21,22)
InChIKeyBJTWBSZVTVJFAG-UHFFFAOYSA-N
MW356.76 g/mol
LogP2.21
Rot. Bonds4

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

2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 78133178) has the molecular formula C14H15ClF2N6O and a molecular weight of 356.76 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID78133178
Molecular FormulaC14H15ClF2N6O
Molecular Weight356.76 g/mol
Exact Mass356.10
IUPAC Name2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cn1
InChIInChI=1S/C14H15ClF2N6O/c1-8(11-18-6-9(16)7-19-11)20-12-10(17)13(22-14(15)21-12)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3,(H,20,21,22)
InChIKeyBJTWBSZVTVJFAG-UHFFFAOYSA-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 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 78133178) is 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine is CC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cn1.
What is the InChIKey of 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is BJTWBSZVTVJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N6O/c1-8(11-18-6-9(16)7-19-11)20-12-10(17)13(22-14(15)21-12)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3,(H,20,21,22).
What are the key properties of 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-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 2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 78133178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).