3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione

C9H14N2O2 — CID 3021709

IUPAC3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(C)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4-5H2,1-3H3,(H,10,13)
InChIKeyJWHXRPRJUQVXHG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.33
Rot. Bonds2

About 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione

3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 3021709) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID3021709
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(C)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4-5H2,1-3H3,(H,10,13)
InChIKeyJWHXRPRJUQVXHG-UHFFFAOYSA-N
XLogP0.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Heptafluoropropyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 2063410
Uracil, 5-ethyl-6-methyl-
CID 202538
3-hexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 1915099
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-1,3-dimethyl-
CID 206369
Uracil, 5-butyl-6-methyl-
CID 207254
Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
Uracil, 6-methyl-5-propyl-
CID 3025420
Uracil, 5-butyl-6-ethyl-
CID 3062839
3-pentyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 2055081
Uracil, 5-allyl-3,6-dimethyl-
CID 3021699
Uracil, 5-butyl-3,6-dimethyl-
CID 3021746
Uracil, 5-butyl-3-ethyl-6-methyl-
CID 3021772

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione (CID 3021709) is 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(C)[nH]c(=O)n(C)c1=O.
What is the InChIKey of 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is JWHXRPRJUQVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4-5H2,1-3H3,(H,10,13).
What are the key properties of 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione?
3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3021709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).