5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione

C14H24N2O3 — CID 112600250

IUPAC5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)CCCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N2O3/c1-5-11-12(17)15-14(19)16(13(11)18)10(4)8-6-7-9(2)3/h9-10,18H,5-8H2,1-4H3,(H,15,17,19)
InChIKeyVCMMMAWSLSMMDF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.19
Rot. Bonds6

About 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione (PubChem CID 112600250) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
PubChem CID112600250
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)CCCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N2O3/c1-5-11-12(17)15-14(19)16(13(11)18)10(4)8-6-7-9(2)3/h9-10,18H,5-8H2,1-4H3,(H,15,17,19)
InChIKeyVCMMMAWSLSMMDF-UHFFFAOYSA-N
XLogP2.19
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione (CID 112600250) is 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione is CCc1c(O)n(C(C)CCCC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione?
The InChIKey is VCMMMAWSLSMMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-11-12(17)15-14(19)16(13(11)18)10(4)8-6-7-9(2)3/h9-10,18H,5-8H2,1-4H3,(H,15,17,19).
What are the key properties of 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 112600250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).