5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine

C11H17FN4S — CID 80764347

IUPAC5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCSCC2)n1
InChIInChI=1S/C11H17FN4S/c1-2-3-13-11-14-8-9(12)10(15-11)16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyUDKBMSJESXIJBE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.99
Rot. Bonds4

About 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine

5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 80764347) has the molecular formula C11H17FN4S and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine
PubChem CID80764347
Molecular FormulaC11H17FN4S
Molecular Weight256.35 g/mol
Exact Mass256.12
IUPAC Name5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCSCC2)n1
InChIInChI=1S/C11H17FN4S/c1-2-3-13-11-14-8-9(12)10(15-11)16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyUDKBMSJESXIJBE-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
Ethyl(5-fluoro-2-methylthiopyrimidin-4-yl)amine
CID 685637
1-(5-Fluoro-2-(methylthio)pyrimidin-4-yl)piperidin-4-amine
CID 129853729
N~2~-[2-(cyclohexylthio)ethyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 72845303
N~2~-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-fluoro-N~4~-methylpyrimidine-2,4-diamine
CID 122561097
2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 131943269
N~2~-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 132409671
N-{1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl}-N,N',N'-trimethylethane-1,2-diamine
CID 132421179
2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 164640661
5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 171359425
2-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]ethanamine
CID 15453168

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine (CID 80764347) is 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CCSCC2)n1.
What is the InChIKey of 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The InChIKey is UDKBMSJESXIJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4S/c1-2-3-13-11-14-8-9(12)10(15-11)16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 80764347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).