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

C8H12N4O4 — CID 10998749

IUPAC6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(NCCCO)c(N=O)c1=O
InChIInChI=1S/C8H12N4O4/c1-12-7(14)5(11-16)6(10-8(12)15)9-3-2-4-13/h9,13H,2-4H2,1H3,(H,10,15)
InChIKeyYYTLUSBQKGXSSF-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.73
Rot. Bonds5

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

6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione (PubChem CID 10998749) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
PubChem CID10998749
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(NCCCO)c(N=O)c1=O
InChIInChI=1S/C8H12N4O4/c1-12-7(14)5(11-16)6(10-8(12)15)9-3-2-4-13/h9,13H,2-4H2,1H3,(H,10,15)
InChIKeyYYTLUSBQKGXSSF-UHFFFAOYSA-N
XLogP-0.73
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione (CID 10998749) is 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(NCCCO)c(N=O)c1=O.
What is the InChIKey of 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The InChIKey is YYTLUSBQKGXSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-12-7(14)5(11-16)6(10-8(12)15)9-3-2-4-13/h9,13H,2-4H2,1H3,(H,10,15).
What are the key properties of 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione has a molecular weight of 228.21 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10998749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).