3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione

C12H19N3O3 — CID 5310386

IUPAC3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)cc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-2-3-4-15-11(16)9-10(13-12(15)17)14-5-7-18-8-6-14/h9H,2-8H2,1H3,(H,13,17)
InChIKeyCSRZEZJZWYVBFK-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.17
Rot. Bonds4

About 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione

3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 5310386) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID5310386
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)cc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-2-3-4-15-11(16)9-10(13-12(15)17)14-5-7-18-8-6-14/h9H,2-8H2,1H3,(H,13,17)
InChIKeyCSRZEZJZWYVBFK-UHFFFAOYSA-N
XLogP0.17
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-6-morpholino-2,4(1H,3H)-pyrimidinedione
CID 2801167
3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 3235577
3-cyclohexyl-6-morpholin-4-ylpyrimidine-2,4(1H,3H)-dione
CID 3242688
3-methyl-6-morpholinopyrimidine-2,4(1H,3H)-dione
CID 3254441
3-ethyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4141055
Pyrimidine-2,4-dione, hexahydro-3,6-dimethyl-1-(4-morpholinobutyl)-
CID 567606
3-(Morpholin-4-ylmethyl)-1,3-dihydropyrimidine-2,4-dione
CID 260818
6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 134987665
6-Amino-1-butyl-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2497377
3-Methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione
CID 4113671
3-Methyl-6-(3-morpholin-4-ylpropylamino)-1-prop-2-enylpyrimidine-2,4-dione
CID 4345306
6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 5233563

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (CID 5310386) is 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is CCCCn1c(=O)cc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is CSRZEZJZWYVBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-3-4-15-11(16)9-10(13-12(15)17)14-5-7-18-8-6-14/h9H,2-8H2,1H3,(H,13,17).
What are the key properties of 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5310386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).