3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one

C9H15N3O — CID 82168026

IUPAC3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C(C)CN)c(C)n1
InChIInChI=1S/C9H15N3O/c1-6-4-9(13)12(7(2)5-10)8(3)11-6/h4,7H,5,10H2,1-3H3
InChIKeyPJMSXNRYDGHXEW-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.38
Rot. Bonds2

About 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one

3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one (PubChem CID 82168026) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one
PubChem CID82168026
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C(C)CN)c(C)n1
InChIInChI=1S/C9H15N3O/c1-6-4-9(13)12(7(2)5-10)8(3)11-6/h4,7H,5,10H2,1-3H3
InChIKeyPJMSXNRYDGHXEW-UHFFFAOYSA-N
XLogP0.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
4(3H)-Pyrimidinone, 2,3,6-trimethyl-
CID 544953
2-(Aminomethyl)-6-methylpyrimidin-4(3H)-one
CID 135714975
2-(Aminomethyl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137098529
3-(2-Aminoethyl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137951229
N-((6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)methyl)acetamide
CID 136208150
N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 157847969
1,2-Dimethyl-4-methylaminoethylidene-5-imidazolone
CID 129786331
2-methyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]propanamide
CID 137179767
2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
CID 137301596

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one (CID 82168026) is 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C(C)CN)c(C)n1.
What is the InChIKey of 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is PJMSXNRYDGHXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-9(13)12(7(2)5-10)8(3)11-6/h4,7H,5,10H2,1-3H3.
What are the key properties of 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one?
3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 82168026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).