6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H20N2O4 — CID 154775439

IUPAC6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(COc2ccc(OCC3CC3)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20N2O4/c1-18-13(9-16(20)19(2)17(18)21)11-23-15-7-5-14(6-8-15)22-10-12-3-4-12/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyBOIWXKUOACTCIC-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.45
Rot. Bonds6

About 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 154775439) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID154775439
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(COc2ccc(OCC3CC3)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20N2O4/c1-18-13(9-16(20)19(2)17(18)21)11-23-15-7-5-14(6-8-15)22-10-12-3-4-12/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyBOIWXKUOACTCIC-UHFFFAOYSA-N
XLogP1.45
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid
CID 43233815
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzonitrile
CID 46516132
3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole
CID 91645046
6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 106133627
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 56782712
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
CID 141182513
cyclopropylmethoxybenzene
CID 12712156
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
CID 115042065
6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119909687

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 154775439) is 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(COc2ccc(OCC3CC3)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BOIWXKUOACTCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-18-13(9-16(20)19(2)17(18)21)11-23-15-7-5-14(6-8-15)22-10-12-3-4-12/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 154775439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).