1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one

C10H17N3O — CID 43367702

IUPAC1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(C)CN)c(=O)n1
InChIInChI=1S/C10H17N3O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,5-6,11H2,1-3H3
InChIKeyLUFYEHGRNATTKE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.45
Rot. Bonds3

About 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one

1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 43367702) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one
PubChem CID43367702
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(C)CN)c(=O)n1
InChIInChI=1S/C10H17N3O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,5-6,11H2,1-3H3
InChIKeyLUFYEHGRNATTKE-UHFFFAOYSA-N
XLogP0.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dihydro-4,6-dimethyl-1-propyl-pyrimidin-2-one
CID 12795361
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-(Aminomethyl)-3,3,3-trifluoropropyl]-4,6-dimethylpyrimidin-2-one
CID 103366508
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
1,3-Diethyl-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097243
4,6-Dimethyl-1,3-dipropylpyrimidin-1-ium-2-one chloride
CID 12097244
4,6-Dimethyl-1,3-dipropylpyrimidin-1-ium-2-one
CID 12097245
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
4,6-Dimethyl-1-[2-(propan-2-ylamino)ethyl]pyrimidin-2-one
CID 61387026
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide
CID 121330083
4,6-Dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one
CID 123478764

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one (CID 43367702) is 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(C)CN)c(=O)n1.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is LUFYEHGRNATTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,5-6,11H2,1-3H3.
What are the key properties of 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one?
1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 43367702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).