2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine

C13H21FN4O — CID 170282043

IUPAC2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine
SMILESCCC(C)[C@@H]1CN(c2ncc(F)c(N)n2)C[C@H](C)O1
InChIInChI=1S/C13H21FN4O/c1-4-8(2)11-7-18(6-9(3)19-11)13-16-5-10(14)12(15)17-13/h5,8-9,11H,4,6-7H2,1-3H3,(H2,15,16,17)/t8?,9-,11-/m0/s1
InChIKeyPEBBSIAEJFGJFO-PCFYAGROSA-N
MW268.34 g/mol
LogP1.84
Rot. Bonds3

About 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine

2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine (PubChem CID 170282043) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine
PubChem CID170282043
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine
SMILESCCC(C)[C@@H]1CN(c2ncc(F)c(N)n2)C[C@H](C)O1
InChIInChI=1S/C13H21FN4O/c1-4-8(2)11-7-18(6-9(3)19-11)13-16-5-10(14)12(15)17-13/h5,8-9,11H,4,6-7H2,1-3H3,(H2,15,16,17)/t8?,9-,11-/m0/s1
InChIKeyPEBBSIAEJFGJFO-PCFYAGROSA-N
XLogP1.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
5-Fluoro-2-(piperidin-4-yloxy)pyrimidin-4-amine
CID 44542266
4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine
CID 3121397
4-(2-Butoxy-5-fluoropyrimidin-4-yl)morpholine
CID 172695039
2-Butoxy-5-fluoro-4-piperidin-1-ylpyrimidine
CID 174668818
2-(4-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}piperazin-1-YL)-5-methylpyrimidin-4-amine
CID 56716702
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3147873
5-Fluoro-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 43822498
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50949745

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine (CID 170282043) is 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine is CCC(C)[C@@H]1CN(c2ncc(F)c(N)n2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine?
The InChIKey is PEBBSIAEJFGJFO-PCFYAGROSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-4-8(2)11-7-18(6-9(3)19-11)13-16-5-10(14)12(15)17-13/h5,8-9,11H,4,6-7H2,1-3H3,(H2,15,16,17)/t8?,9-,11-/m0/s1.
What are the key properties of 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine?
2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine has a molecular weight of 268.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2-butan-2-yl-6-methylmorpholin-4-yl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 170282043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).