5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine

C12H12ClFN6O — CID 178031123

IUPAC5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(Cl)c(F)c(N3CCOCC3)n2)cn1
InChIInChI=1S/C12H12ClFN6O/c13-9-8(14)11(20-1-3-21-4-2-20)19-10(18-9)7-5-16-12(15)17-6-7/h5-6H,1-4H2,(H2,15,16,17)
InChIKeyOUIOGHDLWUOKHY-UHFFFAOYSA-N
MW310.72 g/mol
LogP1.14
Rot. Bonds2

About 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine

5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine (PubChem CID 178031123) has the molecular formula C12H12ClFN6O and a molecular weight of 310.72 g/mol. Its IUPAC name is 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
PubChem CID178031123
Molecular FormulaC12H12ClFN6O
Molecular Weight310.72 g/mol
Exact Mass310.07
IUPAC Name5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(Cl)c(F)c(N3CCOCC3)n2)cn1
InChIInChI=1S/C12H12ClFN6O/c13-9-8(14)11(20-1-3-21-4-2-20)19-10(18-9)7-5-16-12(15)17-6-7/h5-6H,1-4H2,(H2,15,16,17)
InChIKeyOUIOGHDLWUOKHY-UHFFFAOYSA-N
XLogP1.14
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 46202651
4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
2-Morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-amine
CID 2816900
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine
CID 3121397
2-[1-(6-Chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
CID 25026494
4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 58367475
2-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 71612724
4-chloro-5-fluoro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 71615704
4-chloro-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 71615710
4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 76735958
2-chloro-5-fluoro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 78133178

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine (CID 178031123) is 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(Cl)c(F)c(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The InChIKey is OUIOGHDLWUOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN6O/c13-9-8(14)11(20-1-3-21-4-2-20)19-10(18-9)7-5-16-12(15)17-6-7/h5-6H,1-4H2,(H2,15,16,17).
What are the key properties of 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine has a molecular weight of 310.72 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 178031123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).