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

C12H17N5O2 — CID 64772899

IUPAC5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)n1ccc(Cn2c(=O)c(N)cn(C)c2=O)n1
InChIInChI=1S/C12H17N5O2/c1-8(2)17-5-4-9(14-17)6-16-11(18)10(13)7-15(3)12(16)19/h4-5,7-8H,6,13H2,1-3H3
InChIKeyJWXUMCCCHVMUAK-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.05
Rot. Bonds3

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

5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 64772899) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID64772899
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)n1ccc(Cn2c(=O)c(N)cn(C)c2=O)n1
InChIInChI=1S/C12H17N5O2/c1-8(2)17-5-4-9(14-17)6-16-11(18)10(13)7-15(3)12(16)19/h4-5,7-8H,6,13H2,1-3H3
InChIKeyJWXUMCCCHVMUAK-UHFFFAOYSA-N
XLogP-0.05
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622158
5-bromo-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 66310631
4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 107345120
5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione
CID 63799731
2-[(1-propan-2-ylpyrazol-3-yl)methyl]isoindole-1,3-dione
CID 91969599
ethyl 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 107344799
3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
CID 63798858
3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 63799905
5-iodo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridazin-3-one
CID 114553671
5,5-diethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 64801529
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 65324092

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (CID 64772899) is 5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is CC(C)n1ccc(Cn2c(=O)c(N)cn(C)c2=O)n1.
What is the InChIKey of 5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is JWXUMCCCHVMUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(2)17-5-4-9(14-17)6-16-11(18)10(13)7-15(3)12(16)19/h4-5,7-8H,6,13H2,1-3H3.
What are the key properties of 5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
5-amino-1-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of -0.05, 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-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 64772899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).