5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione

C9H12N6O2 — CID 107042848

IUPAC5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCn1cc(Cn2c(=O)c(N)cn(C)c2=O)nn1
InChIInChI=1S/C9H12N6O2/c1-13-5-7(10)8(16)15(9(13)17)4-6-3-14(2)12-11-6/h3,5H,4,10H2,1-2H3
InChIKeyQLAQNVYVWFCUER-UHFFFAOYSA-N
MW236.24 g/mol
LogP-1.69
Rot. Bonds2

About 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione

5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 107042848) has the molecular formula C9H12N6O2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID107042848
Molecular FormulaC9H12N6O2
Molecular Weight236.24 g/mol
Exact Mass236.10
IUPAC Name5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCn1cc(Cn2c(=O)c(N)cn(C)c2=O)nn1
InChIInChI=1S/C9H12N6O2/c1-13-5-7(10)8(16)15(9(13)17)4-6-3-14(2)12-11-6/h3,5H,4,10H2,1-2H3
InChIKeyQLAQNVYVWFCUER-UHFFFAOYSA-N
XLogP-1.69
TPSA100.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-1-methyl-3-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
CID 55240714
5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 112650322
5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 103002422
1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one
CID 103866266
3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
CID 63798858
2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 63799393
5-amino-3-[(2-chloro-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102616051
5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione
CID 63799731
1-[(1-tert-butyltriazol-4-yl)methyl]-3-[(1-methyltriazol-4-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 155097519
5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
CID 103867554
5-amino-1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 63800611
3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one
CID 107052060

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione (CID 107042848) is 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione is Cn1cc(Cn2c(=O)c(N)cn(C)c2=O)nn1.
What is the InChIKey of 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is QLAQNVYVWFCUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-13-5-7(10)8(16)15(9(13)17)4-6-3-14(2)12-11-6/h3,5H,4,10H2,1-2H3.
What are the key properties of 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 236.24 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 107042848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).