3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione

C13H19N5O2 — CID 106933888

IUPAC3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(Cn2ccc(=O)n(CCCN)c2=O)n(C)n1
InChIInChI=1S/C13H19N5O2/c1-10-8-11(16(2)15-10)9-17-7-4-12(19)18(13(17)20)6-3-5-14/h4,7-8H,3,5-6,9,14H2,1-2H3
InChIKeyZNFIHLUNKKJYDO-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.55
Rot. Bonds5

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

3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 106933888) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID106933888
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(Cn2ccc(=O)n(CCCN)c2=O)n(C)n1
InChIInChI=1S/C13H19N5O2/c1-10-8-11(16(2)15-10)9-17-7-4-12(19)18(13(17)20)6-3-5-14/h4,7-8H,3,5-6,9,14H2,1-2H3
InChIKeyZNFIHLUNKKJYDO-UHFFFAOYSA-N
XLogP-0.55
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-aminopropyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 106933750
3-(3-aminopropyl)-1-[(4-fluoro-2-methylphenyl)methyl]pyrimidine-2,4-dione
CID 106933940
3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine
CID 66404025
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604494
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (CID 106933888) is 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is Cc1cc(Cn2ccc(=O)n(CCCN)c2=O)n(C)n1.
What is the InChIKey of 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZNFIHLUNKKJYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-10-8-11(16(2)15-10)9-17-7-4-12(19)18(13(17)20)6-3-5-14/h4,7-8H,3,5-6,9,14H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 277.33 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106933888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).