6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one

C10H17N3O — CID 83847581

IUPAC6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(N)Cc1cc(C(C)C)nc(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-6(2)9-5-8(4-7(3)11)12-10(14)13-9/h5-7H,4,11H2,1-3H3,(H,12,13,14)
InChIKeyJRETVOOACRKVIA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.78
Rot. Bonds3

About 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one

6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 83847581) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one
PubChem CID83847581
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(N)Cc1cc(C(C)C)nc(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-6(2)9-5-8(4-7(3)11)12-10(14)13-9/h5-7H,4,11H2,1-3H3,(H,12,13,14)
InChIKeyJRETVOOACRKVIA-UHFFFAOYSA-N
XLogP0.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one (CID 83847581) is 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one is CC(N)Cc1cc(C(C)C)nc(=O)[nH]1.
What is the InChIKey of 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is JRETVOOACRKVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)9-5-8(4-7(3)11)12-10(14)13-9/h5-7H,4,11H2,1-3H3,(H,12,13,14).
What are the key properties of 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one?
6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-4-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 83847581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).