5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one

C11H19N3O — CID 83884520

IUPAC5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1ncc(CCCN)c(=O)n1C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)14-9(3)13-7-10(11(14)15)5-4-6-12/h7-8H,4-6,12H2,1-3H3
InChIKeyHJXZNSZQIHEKIK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds4

About 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one

5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 83884520) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one
PubChem CID83884520
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1ncc(CCCN)c(=O)n1C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)14-9(3)13-7-10(11(14)15)5-4-6-12/h7-8H,4-6,12H2,1-3H3
InChIKeyHJXZNSZQIHEKIK-UHFFFAOYSA-N
XLogP1.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one (CID 83884520) is 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one is Cc1ncc(CCCN)c(=O)n1C(C)C.
What is the InChIKey of 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is HJXZNSZQIHEKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-9(3)13-7-10(11(14)15)5-4-6-12/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one?
5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-methyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 83884520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).