3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione

C10H16N2O2 — CID 122239179

IUPAC3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-5-8-6-9(13)12(7(2)3)10(14)11-8/h6-7H,4-5H2,1-3H3,(H,11,14)
InChIKeyFDCYTHXZHOXBFF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.07
Rot. Bonds3

About 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione

3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione (PubChem CID 122239179) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione
PubChem CID122239179
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-5-8-6-9(13)12(7(2)3)10(14)11-8/h6-7H,4-5H2,1-3H3,(H,11,14)
InChIKeyFDCYTHXZHOXBFF-UHFFFAOYSA-N
XLogP1.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
6-Cyclopropyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 22075424
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-pentylacetamide
CID 2150008
N-butyl-2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetamide
CID 2149962
Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
Uracil, 5-allyl-3,6-dimethyl-
CID 3021699
6-n-Propyluracil
CID 96188
1-Butyl-6-methyluracil
CID 12703038
6-Butyl-1,3-dimethyluracil
CID 13897054
6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 250186

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione (CID 122239179) is 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione is CCCc1cc(=O)n(C(C)C)c(=O)[nH]1.
What is the InChIKey of 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is FDCYTHXZHOXBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-8-6-9(13)12(7(2)3)10(14)11-8/h6-7H,4-5H2,1-3H3,(H,11,14).
What are the key properties of 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione?
3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).