5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine

C14H21FN4O — CID 72913437

IUPAC5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCOC3(CCCC3)C2)ncc1F
InChIInChI=1S/C14H21FN4O/c1-18(2)12-11(15)9-16-13(17-12)19-7-8-20-14(10-19)5-3-4-6-14/h9H,3-8,10H2,1-2H3
InChIKeyLCCDICDUGBZDFF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.83
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine

5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine (PubChem CID 72913437) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine
PubChem CID72913437
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCOC3(CCCC3)C2)ncc1F
InChIInChI=1S/C14H21FN4O/c1-18(2)12-11(15)9-16-13(17-12)19-7-8-20-14(10-19)5-3-4-6-14/h9H,3-8,10H2,1-2H3
InChIKeyLCCDICDUGBZDFF-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-Methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
CID 110118022
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
2-Butoxy-5-fluoro-4-piperidin-1-ylpyrimidine
CID 174668818
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3147873
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50949745
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
N,N-dimethyl-5-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576652
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
(3R,4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 164640940

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine (CID 72913437) is 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine is CN(C)c1nc(N2CCOC3(CCCC3)C2)ncc1F.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine?
The InChIKey is LCCDICDUGBZDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-18(2)12-11(15)9-16-13(17-12)19-7-8-20-14(10-19)5-3-4-6-14/h9H,3-8,10H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine?
5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine has a molecular weight of 280.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-amine is sourced from PubChem (CID 72913437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).