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

C14H16ClFN6O — CID 71615710

IUPAC4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cl)cc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C14H16ClFN6O/c1-9(13-17-7-10(16)8-18-13)19-14-20-11(15)6-12(21-14)22-2-4-23-5-3-22/h6-9H,2-5H2,1H3,(H,19,20,21)/t9-/m0/s1
InChIKeyWIBJPQIOTLPYAD-VIFPVBQESA-N
MW338.77 g/mol
LogP2.07
Rot. Bonds4

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

4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 71615710) has the molecular formula C14H16ClFN6O and a molecular weight of 338.77 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID71615710
Molecular FormulaC14H16ClFN6O
Molecular Weight338.77 g/mol
Exact Mass338.11
IUPAC Name4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cl)cc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C14H16ClFN6O/c1-9(13-17-7-10(16)8-18-13)19-14-20-11(15)6-12(21-14)22-2-4-23-5-3-22/h6-9H,2-5H2,1H3,(H,19,20,21)/t9-/m0/s1
InChIKeyWIBJPQIOTLPYAD-VIFPVBQESA-N
XLogP2.07
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine (CID 71615710) is 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine is C[C@H](Nc1nc(Cl)cc(N2CCOCC2)n1)c1ncc(F)cn1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is WIBJPQIOTLPYAD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClFN6O/c1-9(13-17-7-10(16)8-18-13)19-14-20-11(15)6-12(21-14)22-2-4-23-5-3-22/h6-9H,2-5H2,1H3,(H,19,20,21)/t9-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 338.77 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 71615710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).