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

C11H19N3O — CID 43428358

IUPAC1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one
SMILESCCC(CCN)n1c(C)cc(C)nc1=O
InChIInChI=1S/C11H19N3O/c1-4-10(5-6-12)14-9(3)7-8(2)13-11(14)15/h7,10H,4-6,12H2,1-3H3
InChIKeyJEEHLDFHFKMQRZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds4

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

1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one (PubChem CID 43428358) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one
PubChem CID43428358
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one
SMILESCCC(CCN)n1c(C)cc(C)nc1=O
InChIInChI=1S/C11H19N3O/c1-4-10(5-6-12)14-9(3)7-8(2)13-11(14)15/h7,10H,4-6,12H2,1-3H3
InChIKeyJEEHLDFHFKMQRZ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-4,6-dimethyl-2-oxopyrimidine
CID 175647238
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43753201
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
4,6-Dimethyl-1-[2-(propan-2-ylamino)ethyl]pyrimidin-2-one
CID 61387026
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)ethylazanium
CID 7200828
1-(3-Aminopropyl)-4,6-dimethylpyrimidin-2-one
CID 16788264
1-(2-Aminopropyl)-4,6-dimethylpyrimidin-2-one
CID 16794315
1-(2-Amino-3,3-dimethylbutyl)-4,6-dimethylpyrimidin-2-one
CID 16795272
1-(4-Aminobutyl)-4,6-dimethylpyrimidin-2-one
CID 20113355
1-[(2R)-2-aminopropyl]-4,6-dimethylpyrimidin-2-one
CID 28109569
1-[(2S)-2-aminopropyl]-4,6-dimethylpyrimidin-2-one
CID 28109571
1-(3-Amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one
CID 43367702

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one (CID 43428358) is 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one is CCC(CCN)n1c(C)cc(C)nc1=O.
What is the InChIKey of 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is JEEHLDFHFKMQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-10(5-6-12)14-9(3)7-8(2)13-11(14)15/h7,10H,4-6,12H2,1-3H3.
What are the key properties of 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one?
1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 43428358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).