6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate

C9H15N5O3 — CID 57465365

IUPAC6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate
SMILESCn1c(N2CCCC2)nc(N)c(N=O)c1=O.O
InChIInChI=1S/C9H13N5O2.H2O/c1-13-8(15)6(12-16)7(10)11-9(13)14-4-2-3-5-14;/h2-5,10H2,1H3;1H2
InChIKeySTEAKAVMRCNDQQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.46
Rot. Bonds2

About 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate

6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate (PubChem CID 57465365) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate.

Molecular Properties

Compound Name6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate
PubChem CID57465365
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate
SMILESCn1c(N2CCCC2)nc(N)c(N=O)c1=O.O
InChIInChI=1S/C9H13N5O2.H2O/c1-13-8(15)6(12-16)7(10)11-9(13)14-4-2-3-5-14;/h2-5,10H2,1H3;1H2
InChIKeySTEAKAVMRCNDQQ-UHFFFAOYSA-N
XLogP-0.46
TPSA125.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate?
The IUPAC name of 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate (CID 57465365) is 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate.
What is the SMILES notation for 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate?
The canonical SMILES for 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate is Cn1c(N2CCCC2)nc(N)c(N=O)c1=O.O.
What is the InChIKey of 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate?
The InChIKey is STEAKAVMRCNDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2.H2O/c1-13-8(15)6(12-16)7(10)11-9(13)14-4-2-3-5-14;/h2-5,10H2,1H3;1H2.
What are the key properties of 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate?
6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate has a molecular weight of 241.25 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-nitroso-2-pyrrolidin-1-ylpyrimidin-4-one;hydrate is sourced from PubChem (CID 57465365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).