1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one

C10H17N3O — CID 130909588

IUPAC1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CC(C)(C)CN)c(=O)n1
InChIInChI=1S/C10H17N3O/c1-8-4-5-13(9(14)12-8)7-10(2,3)6-11/h4-5H,6-7,11H2,1-3H3
InChIKeyXFCFJLBVUHSVEO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.54
Rot. Bonds3

About 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one

1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one (PubChem CID 130909588) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one
PubChem CID130909588
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CC(C)(C)CN)c(=O)n1
InChIInChI=1S/C10H17N3O/c1-8-4-5-13(9(14)12-8)7-10(2,3)6-11/h4-5H,6-7,11H2,1-3H3
InChIKeyXFCFJLBVUHSVEO-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Tert-butyl-4-methylpyrimidin-2-one
CID 57816392
3-ethyl-4-methyl-1H-pyrimidin-3-ium-2-one
CID 68421517
3,4-dipropyl-1H-pyrimidin-3-ium-2-one chloride
CID 69715483
3,4-dipropyl-1H-pyrimidin-3-ium-2-one
CID 69715484
1-Tert-butyl-5-deuterio-4-methylpyrimidin-2-one
CID 129013324
1-Tert-butyl-6-deuterio-4-methylpyrimidin-2-one
CID 129013325
4-(Aminomethyl)-1-propylpyrimidin-2-one
CID 143039118
Ethane;4-methyl-1-propan-2-ylpyrimidin-2-one
CID 145063029
1-(3-Aminopropyl)-6,6-dimethylbenzimidazol-2-one
CID 149872032
4-Ethanimidoyl-1-ethylpyrimidin-2-one
CID 163518147
Ethane;1-ethyl-4-methylpyrimidin-2-one
CID 172576114
4-Methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one
CID 114217447

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one (CID 130909588) is 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one is Cc1ccn(CC(C)(C)CN)c(=O)n1.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one?
The InChIKey is XFCFJLBVUHSVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-4-5-13(9(14)12-8)7-10(2,3)6-11/h4-5H,6-7,11H2,1-3H3.
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one?
1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one is sourced from PubChem (CID 130909588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).