6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione

C11H17N3O4 — CID 10037989

IUPAC6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(C)c([N+](=O)[O-])c(=O)n(CCC)c1=O
InChIInChI=1S/C11H17N3O4/c1-4-6-12-8(3)9(14(17)18)10(15)13(7-5-2)11(12)16/h4-7H2,1-3H3
InChIKeyWRWQSJUSHNWSNL-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.05
Rot. Bonds5

About 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione

6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione (PubChem CID 10037989) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione
PubChem CID10037989
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(C)c([N+](=O)[O-])c(=O)n(CCC)c1=O
InChIInChI=1S/C11H17N3O4/c1-4-6-12-8(3)9(14(17)18)10(15)13(7-5-2)11(12)16/h4-7H2,1-3H3
InChIKeyWRWQSJUSHNWSNL-UHFFFAOYSA-N
XLogP1.05
TPSA87.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Nitro-1,3,6-trimethyluracil
CID 750369
1,3-Diethyl-6-methyl-5-nitrouracil
CID 4280150
6-Amino-5-nitroso-1,3-dipropylpyrimidine-2,4(1H,3H)-dione
CID 5182018
1,6-Dimethyl-5-nitrouracil
CID 13613066
3-butan-2-yl-6-methyl-5-nitro-1H-pyrimidine-2,4-dione
CID 15571332
6-(Bromomethyl)-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
CID 1201461
6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
CID 135043059
6-methyl-5-nitro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 13740565
6-Methyl-5-nitro-3-propyl-1,3-dihydropyrimidine-2,4-dione
CID 10262622
1-(3-Methoxypropyl)-3,6-dimethyl-5-nitropyrimidine-2,4-dione
CID 11536200
3-Ethyl-1-(3-methoxypropyl)-6-methyl-5-nitropyrimidine-2,4-dione
CID 11579906
1,6-Dimethyl-3-(2-methylpropyl)-5-nitropyrimidine-2,4-dione
CID 11615652

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione (CID 10037989) is 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione is CCCn1c(C)c([N+](=O)[O-])c(=O)n(CCC)c1=O.
What is the InChIKey of 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione?
The InChIKey is WRWQSJUSHNWSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-6-12-8(3)9(14(17)18)10(15)13(7-5-2)11(12)16/h4-7H2,1-3H3.
What are the key properties of 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione?
6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione has a molecular weight of 255.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione is sourced from PubChem (CID 10037989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).