3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione

C8H12N4O3 — CID 3107550

IUPAC3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione
SMILESCCCNc1[nH]c(=O)n(C)c(=O)c1N=O
InChIInChI=1S/C8H12N4O3/c1-3-4-9-6-5(11-15)7(13)12(2)8(14)10-6/h9H,3-4H2,1-2H3,(H,10,14)
InChIKeyWOBLLOVVVCBVHH-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.29
Rot. Bonds4

About 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione

3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione (PubChem CID 3107550) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione
PubChem CID3107550
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione
SMILESCCCNc1[nH]c(=O)n(C)c(=O)c1N=O
InChIInChI=1S/C8H12N4O3/c1-3-4-9-6-5(11-15)7(13)12(2)8(14)10-6/h9H,3-4H2,1-2H3,(H,10,14)
InChIKeyWOBLLOVVVCBVHH-UHFFFAOYSA-N
XLogP0.29
TPSA96.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-1,3-dimethyl-5-nitrosouracil
CID 81133
6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
CID 81448
6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
CID 385990
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-Amino-1-isobutyl-3-methyl-5-nitrosouracil
CID 104678
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
5-nitroso-6-(octylamino)-1H-pyrimidine-2,4-dione
CID 12782103
6-(heptylamino)-5-nitroso-1H-pyrimidine-2,4-dione
CID 146025762
6-(Cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
CID 3118970
1,3-Dimethyl-6-(methylamino)-5-nitropyrimidine-2,4-dione
CID 96841
6-Amino-3-methyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 3247720

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione (CID 3107550) is 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione is CCCNc1[nH]c(=O)n(C)c(=O)c1N=O.
What is the InChIKey of 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is WOBLLOVVVCBVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-3-4-9-6-5(11-15)7(13)12(2)8(14)10-6/h9H,3-4H2,1-2H3,(H,10,14).
What are the key properties of 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione?
3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 212.21 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitroso-6-(propylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3107550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).