5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H27N3O4 — CID 129351441

IUPAC5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H27N3O4/c1-18-9-12(16(21)19(2)17(18)22)10-20-7-8-24-11-14(20)13-5-4-6-15(13)23-3/h9,13-15H,4-8,10-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyPWSUZPZXWKBXTN-RRFJBIMHSA-N
MW337.42 g/mol
LogP0.10
Rot. Bonds4

About 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 129351441) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID129351441
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H27N3O4/c1-18-9-12(16(21)19(2)17(18)22)10-20-7-8-24-11-14(20)13-5-4-6-15(13)23-3/h9,13-15H,4-8,10-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyPWSUZPZXWKBXTN-RRFJBIMHSA-N
XLogP0.10
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483436
(3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine
CID 129346102
4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129482744
3-fluoro-4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483966
3-fluoro-4-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483965
(3S)-4-(1H-imidazol-5-ylmethyl)-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129351443
2-fluoro-4-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129351578
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
CID 167762268
(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129345896
(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129346212
(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129346024
2-fluoro-5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483755

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 129351441) is 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PWSUZPZXWKBXTN-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-18-9-12(16(21)19(2)17(18)22)10-20-7-8-24-11-14(20)13-5-4-6-15(13)23-3/h9,13-15H,4-8,10-11H2,1-3H3/t13-,14+,15+/m0/s1.
What are the key properties of 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 337.42 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 129351441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).