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

C8H13N3O — CID 84652721

IUPAC2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(CC(C)N)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-5-4-10-7(3-6(2)9)11-8(5)12/h4,6H,3,9H2,1-2H3,(H,10,11,12)
InChIKeySDVCTYAZVKXWQW-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.03
Rot. Bonds2

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

2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 84652721) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID84652721
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(CC(C)N)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-5-4-10-7(3-6(2)9)11-8(5)12/h4,6H,3,9H2,1-2H3,(H,10,11,12)
InChIKeySDVCTYAZVKXWQW-UHFFFAOYSA-N
XLogP-0.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
5-(aminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 104189962
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
5-[(propan-2-ylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206307
5-[(tert-butylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206336
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-ethyl-1H-pyrimidin-6-one
CID 23465452

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one (CID 84652721) is 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one is Cc1cnc(CC(C)N)[nH]c1=O.
What is the InChIKey of 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is SDVCTYAZVKXWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-4-10-7(3-6(2)9)11-8(5)12/h4,6H,3,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one?
2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84652721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).