ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one

C9H17N3O2 — CID 142449049

IUPACethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESC=O.CC.CNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C6H9N3O.C2H6.CH2O/c1-4-3-5(10)9-6(7-2)8-4;2*1-2/h3H,1-2H3,(H2,7,8,9,10);1-2H3;1H2
InChIKeyFVIRQUZGFZZFDK-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.96
Rot. Bonds1

About ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one

ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 142449049) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID142449049
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Nameethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESC=O.CC.CNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C6H9N3O.C2H6.CH2O/c1-4-3-5(10)9-6(7-2)8-4;2*1-2/h3H,1-2H3,(H2,7,8,9,10);1-2H3;1H2
InChIKeyFVIRQUZGFZZFDK-UHFFFAOYSA-N
XLogP0.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one (CID 142449049) is ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one is C=O.CC.CNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is FVIRQUZGFZZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.C2H6.CH2O/c1-4-3-5(10)9-6(7-2)8-4;2*1-2/h3H,1-2H3,(H2,7,8,9,10);1-2H3;1H2.
What are the key properties of ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one?
ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 199.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;4-methyl-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 142449049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).