3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione

C14H23N3O3 — CID 567606

IUPAC3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCN1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-12-11-13(18)15(2)14(19)17(12)6-4-3-5-16-7-9-20-10-8-16/h11H,3-10H2,1-2H3
InChIKeyTZCIMTVWDHJLKQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.03
Rot. Bonds5

About 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione

3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione (PubChem CID 567606) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione
PubChem CID567606
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCN1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-12-11-13(18)15(2)14(19)17(12)6-4-3-5-16-7-9-20-10-8-16/h11H,3-10H2,1-2H3
InChIKeyTZCIMTVWDHJLKQ-UHFFFAOYSA-N
XLogP-0.03
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-6-morpholino-2,4(1H,3H)-pyrimidinedione
CID 2801167
3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 5310386
1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione
CID 2332060
3-Butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201010
1,3-Dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 13014893
1,3-Dimethyl-6-[(3-methylmorpholin-4-yl)methyl]pyrimidine-2,4-dione
CID 45813887
6-[[Butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47040062
6-[(2,5-Dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 51077641
3,6-Dimethyl-1-(6-morpholin-4-ylhexyl)pyrimidine-2,4-dione
CID 3125133
6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 134987665
3,6-Dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione
CID 853508
3-Methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione
CID 4113671

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione (CID 567606) is 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCCCN1CCOCC1.
What is the InChIKey of 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione?
The InChIKey is TZCIMTVWDHJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-12-11-13(18)15(2)14(19)17(12)6-4-3-5-16-7-9-20-10-8-16/h11H,3-10H2,1-2H3.
What are the key properties of 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione?
3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 567606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).