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

C11H15N5O2 — CID 103002422

IUPAC5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
SMILESCn1cc(CCn2c(=O)c(N)cn(C)c2=O)cn1
InChIInChI=1S/C11H15N5O2/c1-14-7-9(12)10(17)16(11(14)18)4-3-8-5-13-15(2)6-8/h5-7H,3-4,12H2,1-2H3
InChIKeyMYSPYDKXOHOORE-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.89
Rot. Bonds3

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

5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 103002422) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
PubChem CID103002422
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
SMILESCn1cc(CCn2c(=O)c(N)cn(C)c2=O)cn1
InChIInChI=1S/C11H15N5O2/c1-14-7-9(12)10(17)16(11(14)18)4-3-8-5-13-15(2)6-8/h5-7H,3-4,12H2,1-2H3
InChIKeyMYSPYDKXOHOORE-UHFFFAOYSA-N
XLogP-0.89
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
CID 63798858
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CID 103002356
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
CID 103015435
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63812539
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
6-chloro-2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-one
CID 103013456
[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
CID 103015784
1-methyl-4-propylpyrazole;propane
CID 155742221
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
5-amino-1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63799243
5-amino-2-[2-(1-methylpyrazol-4-yl)ethyl]isoindole-1,3-dione
CID 80689338

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione (CID 103002422) is 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione is Cn1cc(CCn2c(=O)c(N)cn(C)c2=O)cn1.
What is the InChIKey of 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is MYSPYDKXOHOORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-14-7-9(12)10(17)16(11(14)18)4-3-8-5-13-15(2)6-8/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione?
5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103002422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).