2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one

C9H15N3O — CID 84658043

IUPAC2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(CC(C)N)[nH]c1=O
InChIInChI=1S/C9H15N3O/c1-3-7-5-11-8(4-6(2)10)12-9(7)13/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeySZPPDBUORAQASK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.22
Rot. Bonds3

About 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one

2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 84658043) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID84658043
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(CC(C)N)[nH]c1=O
InChIInChI=1S/C9H15N3O/c1-3-7-5-11-8(4-6(2)10)12-9(7)13/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeySZPPDBUORAQASK-UHFFFAOYSA-N
XLogP0.22
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-[(propan-2-ylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206307
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 23465437
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one (CID 84658043) is 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(CC(C)N)[nH]c1=O.
What is the InChIKey of 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is SZPPDBUORAQASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-7-5-11-8(4-6(2)10)12-9(7)13/h5-6H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one?
2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84658043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).