6-methyl-1-pentylpyrimidine-2,4-dione

C10H16N2O2 — CID 2307662

IUPAC6-methyl-1-pentylpyrimidine-2,4-dione
SMILESCCCCCn1c(C)cc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-3-4-5-6-12-8(2)7-9(13)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyQYRTYPWIDSDWEW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.04
Rot. Bonds4

About 6-methyl-1-pentylpyrimidine-2,4-dione

6-methyl-1-pentylpyrimidine-2,4-dione (PubChem CID 2307662) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-methyl-1-pentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1-pentylpyrimidine-2,4-dione
PubChem CID2307662
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-methyl-1-pentylpyrimidine-2,4-dione
SMILESCCCCCn1c(C)cc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-3-4-5-6-12-8(2)7-9(13)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyQYRTYPWIDSDWEW-UHFFFAOYSA-N
XLogP1.04
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
6-Amino-1-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2428996
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 3235577
N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
N-tert-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137635223
N-tert-butyl-2-(3-hexyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137648160
6-[hexyl(methyl)amino]-1H-pyrimidine-2,4-dione
CID 146025744
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-pentylacetamide
CID 2150008
Uracil, 3-cyclohexyl-1,6-dimethyl-
CID 202192
6-(butylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 2262624
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pentylpyrimidine-2,4-dione?
The IUPAC name of 6-methyl-1-pentylpyrimidine-2,4-dione (CID 2307662) is 6-methyl-1-pentylpyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-1-pentylpyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-1-pentylpyrimidine-2,4-dione is CCCCCn1c(C)cc(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-1-pentylpyrimidine-2,4-dione?
The InChIKey is QYRTYPWIDSDWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-5-6-12-8(2)7-9(13)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,13,14).
What are the key properties of 6-methyl-1-pentylpyrimidine-2,4-dione?
6-methyl-1-pentylpyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pentylpyrimidine-2,4-dione is sourced from PubChem (CID 2307662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).