6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one

C9H15N5O2 — CID 11127976

IUPAC6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one
SMILESCCCCNc1nc(N)c(N=O)c(=O)n1C
InChIInChI=1S/C9H15N5O2/c1-3-4-5-11-9-12-7(10)6(13-16)8(15)14(9)2/h3-5,10H2,1-2H3,(H,11,12)
InChIKeyDIADHTVMVQTLPG-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.97
Rot. Bonds5

About 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one

6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one (PubChem CID 11127976) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one
PubChem CID11127976
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one
SMILESCCCCNc1nc(N)c(N=O)c(=O)n1C
InChIInChI=1S/C9H15N5O2/c1-3-4-5-11-9-12-7(10)6(13-16)8(15)14(9)2/h3-5,10H2,1-2H3,(H,11,12)
InChIKeyDIADHTVMVQTLPG-UHFFFAOYSA-N
XLogP0.97
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-2-(dimethylamino)-5-nitroso-4-pyrimidinol
CID 135404220
Bas 00444373
CID 3107550
2-amino-4-(diethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987602
2-amino-4-(ethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987603
2-amino-5-nitroso-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135987607
6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one monohydrate
CID 57465365
6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3H)-one monohydrate
CID 57465367
2-Diethylamino-4-hydroxy-5-nitroso-6-aminopyrimidine
CID 164513055
6-amino-2-(dimethylamino)-3-methyl-5-nitrosopyrimidin-4(3H)-one
CID 7095274
6-Amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one
CID 57465366
InChI=1/C6H9N5O2/c1-8-6-9-4(7)3(10-13)5(12)11(6)2/h7H2,1-2H3,(H,8,9
CID 5325340
2-amino-4-(5-aminopentylamino)-5-nitro-1H-pyrimidin-6-one
CID 135818385

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one?
The IUPAC name of 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one (CID 11127976) is 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one?
The canonical SMILES for 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one is CCCCNc1nc(N)c(N=O)c(=O)n1C.
What is the InChIKey of 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one?
The InChIKey is DIADHTVMVQTLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-3-4-5-11-9-12-7(10)6(13-16)8(15)14(9)2/h3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one?
6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one has a molecular weight of 225.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(butylamino)-3-methyl-5-nitrosopyrimidin-4-one is sourced from PubChem (CID 11127976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).