6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione

C12H18N2O3 — CID 114102672

IUPAC6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(O)n(CC2(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-3-4-8-9(15)13-11(17)14(10(8)16)7-12(2)5-6-12/h16H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyTWYXANNAMYYRLW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.99
Rot. Bonds4

About 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione

6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione (PubChem CID 114102672) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione
PubChem CID114102672
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(O)n(CC2(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-3-4-8-9(15)13-11(17)14(10(8)16)7-12(2)5-6-12/h16H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyTWYXANNAMYYRLW-UHFFFAOYSA-N
XLogP0.99
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-2-methylpropyl)-6-hydroxy-5-propylpyrimidine-2,4-dione
CID 114944945
3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide
CID 106276852
5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
CID 112601402
6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propylpyrimidine-2,4-dione
CID 106377409
6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
CID 106040512
6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114958046
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
5-ethyl-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601046
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione (CID 114102672) is 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione is CCCc1c(O)n(CC2(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione?
The InChIKey is TWYXANNAMYYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-4-8-9(15)13-11(17)14(10(8)16)7-12(2)5-6-12/h16H,3-7H2,1-2H3,(H,13,15,17).
What are the key properties of 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione?
6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 114102672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).