1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C18H31N3O3 — CID 177071020

IUPAC1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CN(C(C)(C)C)CC(CC(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N3O3/c1-12-9-21(16(23)19-15(12)22)14-11-20(18(5,6)7)10-13(24-14)8-17(2,3)4/h9,13-14H,8,10-11H2,1-7H3,(H,19,22,23)
InChIKeyWPUQDDUHFXWCOP-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.28
Rot. Bonds2

About 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 177071020) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID177071020
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CN(C(C)(C)C)CC(CC(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N3O3/c1-12-9-21(16(23)19-15(12)22)14-11-20(18(5,6)7)10-13(24-14)8-17(2,3)4/h9,13-14H,8,10-11H2,1-7H3,(H,19,22,23)
InChIKeyWPUQDDUHFXWCOP-UHFFFAOYSA-N
XLogP2.28
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 177071020) is 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CN(C(C)(C)C)CC(CC(C)(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WPUQDDUHFXWCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-12-9-21(16(23)19-15(12)22)14-11-20(18(5,6)7)10-13(24-14)8-17(2,3)4/h9,13-14H,8,10-11H2,1-7H3,(H,19,22,23).
What are the key properties of 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 337.46 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-6-(2,2-dimethylpropyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 177071020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).