2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane

C13H27N3O — CID 145440011

IUPAC2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane
SMILESCC.CC.CCCn1c(N)nc(C)c(C)c1=O
InChIInChI=1S/C9H15N3O.2C2H6/c1-4-5-12-8(13)6(2)7(3)11-9(12)10;2*1-2/h4-5H2,1-3H3,(H2,10,11);2*1-2H3
InChIKeyNACBZPHGPYRIDL-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.90
Rot. Bonds2

About 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane

2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane (PubChem CID 145440011) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane
PubChem CID145440011
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane
SMILESCC.CC.CCCn1c(N)nc(C)c(C)c1=O
InChIInChI=1S/C9H15N3O.2C2H6/c1-4-5-12-8(13)6(2)7(3)11-9(12)10;2*1-2/h4-5H2,1-3H3,(H2,10,11);2*1-2H3
InChIKeyNACBZPHGPYRIDL-UHFFFAOYSA-N
XLogP2.90
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane?
The IUPAC name of 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane (CID 145440011) is 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane.
What is the SMILES notation for 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane?
The canonical SMILES for 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane is CC.CC.CCCn1c(N)nc(C)c(C)c1=O.
What is the InChIKey of 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane?
The InChIKey is NACBZPHGPYRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2C2H6/c1-4-5-12-8(13)6(2)7(3)11-9(12)10;2*1-2/h4-5H2,1-3H3,(H2,10,11);2*1-2H3.
What are the key properties of 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane?
2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane has a molecular weight of 241.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-3-propylpyrimidin-4-one;ethane is sourced from PubChem (CID 145440011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).