(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane

C16H24FN3O — CID 135106997

IUPAC(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane
SMILESCCc1ncnc(N2CCC[C@@]3(CCC[C@H]3OC)C2)c1F
InChIInChI=1S/C16H24FN3O/c1-3-12-14(17)15(19-11-18-12)20-9-5-8-16(10-20)7-4-6-13(16)21-2/h11,13H,3-10H2,1-2H3/t13-,16+/m1/s1
InChIKeyICGOKWBSPREUIU-CJNGLKHVSA-N
MW293.39 g/mol
LogP2.96
Rot. Bonds3

About (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane

(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane (PubChem CID 135106997) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane
PubChem CID135106997
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane
SMILESCCc1ncnc(N2CCC[C@@]3(CCC[C@H]3OC)C2)c1F
InChIInChI=1S/C16H24FN3O/c1-3-12-14(17)15(19-11-18-12)20-9-5-8-16(10-20)7-4-6-13(16)21-2/h11,13H,3-10H2,1-2H3/t13-,16+/m1/s1
InChIKeyICGOKWBSPREUIU-CJNGLKHVSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyrimidin-4-amine
CID 164694367
(4R,5R)-4-methoxy-7-pyridin-2-yl-7-azaspiro[4.5]decane
CID 135090113
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-N,N-dimethylpyridine-3-carboxamide
CID 164690007
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
CID 125138301
N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine
CID 133420175
(3aS,5S,7aR)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 139014297
[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880
4-(6-ethyl-5-fluoropyrimidin-4-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 133419745
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane (CID 135106997) is (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane is CCc1ncnc(N2CCC[C@@]3(CCC[C@H]3OC)C2)c1F.
What is the InChIKey of (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane?
The InChIKey is ICGOKWBSPREUIU-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-12-14(17)15(19-11-18-12)20-9-5-8-16(10-20)7-4-6-13(16)21-2/h11,13H,3-10H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane?
(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane has a molecular weight of 293.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane is sourced from PubChem (CID 135106997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).