6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione

C21H23N3O3 — CID 95549014

IUPAC6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CN1CCO[C@@H](Cc2cccc3ccccc23)C1
InChIInChI=1S/C21H23N3O3/c1-14-19(20(25)23-21(26)22-14)13-24-9-10-27-17(12-24)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17H,9-13H2,1H3,(H2,22,23,25,26)/t17-/m0/s1
InChIKeyPKRNBSGCFIIZAW-KRWDZBQOSA-N
MW365.43 g/mol
LogP1.97
Rot. Bonds4

About 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 95549014) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID95549014
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CN1CCO[C@@H](Cc2cccc3ccccc23)C1
InChIInChI=1S/C21H23N3O3/c1-14-19(20(25)23-21(26)22-14)13-24-9-10-27-17(12-24)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17H,9-13H2,1H3,(H2,22,23,25,26)/t17-/m0/s1
InChIKeyPKRNBSGCFIIZAW-KRWDZBQOSA-N
XLogP1.97
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

4-[(3-methyl-2-pyridinyl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
CID 56877258
3-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 56875111
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 25287005
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
(2S)-2-(naphthalen-1-ylmethyl)-4-(3-pyrazol-1-ylpropyl)morpholine
CID 30852816
5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95563019
(5-methoxyfuran-2-yl)-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]methanone
CID 45245517
4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione
CID 23200080
N-[2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 56705307
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
1-(4-chlorophenyl)-1-methyl-3-[[4-(naphthalen-1-ylmethyl)morpholin-2-yl]methyl]urea
CID 142661459
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 166225874

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione (CID 95549014) is 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CN1CCO[C@@H](Cc2cccc3ccccc23)C1.
What is the InChIKey of 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PKRNBSGCFIIZAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-19(20(25)23-21(26)22-14)13-24-9-10-27-17(12-24)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17H,9-13H2,1H3,(H2,22,23,25,26)/t17-/m0/s1.
What are the key properties of 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 365.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95549014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).