6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione

C9H13N3O2 — CID 11071

💊View drug profile → amisometradine
IUPAC6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
SMILESC=C(C)Cn1c(N)cc(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3
InChIKeyFXNYSZHYMGWWEZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.29
Rot. Bonds2

About 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione (PubChem CID 11071) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
PubChem CID11071
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
SMILESC=C(C)Cn1c(N)cc(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3
InChIKeyFXNYSZHYMGWWEZ-UHFFFAOYSA-N
XLogP-0.29
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Amino-1,3-dimethyluracil
CID 81152
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
6-Amino-1,3-dipropyluracil
CID 855055
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
Aminometradine
CID 12551
6-amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione
CID 250735
N,N-Dimethylthymine
CID 78112
6-Amino-1-propyluracil
CID 104562
6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 853899
1,3-Dimethyl-6-(propylamino)pyrimidine-2,4-dione
CID 2262138
Stk249703
CID 4637181
3-(Thymin-1'-yl)-2-propenal
CID 6439704

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione (CID 11071) is 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione is C=C(C)Cn1c(N)cc(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione?
The InChIKey is FXNYSZHYMGWWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).