1-butyl-5-methylpyrimidine-2,4-dione

C9H14N2O2 — CID 581039

IUPAC1-butyl-5-methylpyrimidine-2,4-dione
SMILESCCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-4-5-11-6-7(2)8(12)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyNUCUTLRGBQCNFA-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.65
Rot. Bonds3

About 1-butyl-5-methylpyrimidine-2,4-dione

1-butyl-5-methylpyrimidine-2,4-dione (PubChem CID 581039) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-butyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-methylpyrimidine-2,4-dione
PubChem CID581039
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-butyl-5-methylpyrimidine-2,4-dione
SMILESCCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-4-5-11-6-7(2)8(12)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyNUCUTLRGBQCNFA-UHFFFAOYSA-N
XLogP0.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thymine
CID 1135
6-Amino-3-methyl-1-(2-methyl-2-propen-1-yl)-2,4(1H,3H)-pyrimidinedione
CID 11071
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
N,N-Dimethylthymine
CID 78112
5-Isopropyluracil
CID 98575
6-Amino-5-ethyl-1-propylpyrimidine-2,4-dione
CID 2106914
3-(Thymin-1'-yl)-2-propenal
CID 6439704
1,1'-Trimethylenebis(thymine)
CID 89902
N(1),N(3)-Diallylthymine
CID 748590
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-methylpyrimidine-2,4-dione (CID 581039) is 1-butyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-methylpyrimidine-2,4-dione is CCCCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-methylpyrimidine-2,4-dione?
The InChIKey is NUCUTLRGBQCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-5-11-6-7(2)8(12)10-9(11)13/h6H,3-5H2,1-2H3,(H,10,12,13).
What are the key properties of 1-butyl-5-methylpyrimidine-2,4-dione?
1-butyl-5-methylpyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 581039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).