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

C20H21N7O3 — CID 86796207

IUPAC6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione
SMILESCN(Cc1cc(-c2cnn(C)c2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H21N7O3/c1-25(12-15-8-16(24-30-15)14-9-22-26(2)11-14)17-18(21)27(20(29)23-19(17)28)10-13-6-4-3-5-7-13/h3-9,11H,10,12,21H2,1-2H3,(H,23,28,29)
InChIKeyUVONCMAFSSDYJQ-UHFFFAOYSA-N
MW407.43 g/mol
LogP1.19
Rot. Bonds6

About 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione (PubChem CID 86796207) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione
PubChem CID86796207
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione
SMILESCN(Cc1cc(-c2cnn(C)c2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H21N7O3/c1-25(12-15-8-16(24-30-15)14-9-22-26(2)11-14)17-18(21)27(20(29)23-19(17)28)10-13-6-4-3-5-7-13/h3-9,11H,10,12,21H2,1-2H3,(H,23,28,29)
InChIKeyUVONCMAFSSDYJQ-UHFFFAOYSA-N
XLogP1.19
TPSA127.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 78807351
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6-amino-1-benzyl-5-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 47069566
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CID 70777582
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
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N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide
CID 55621362
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CID 55883929
2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642488
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylacetamide
CID 9116783
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55503389

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione (CID 86796207) is 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione is CN(Cc1cc(-c2cnn(C)c2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione?
The InChIKey is UVONCMAFSSDYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-25(12-15-8-16(24-30-15)14-9-22-26(2)11-14)17-18(21)27(20(29)23-19(17)28)10-13-6-4-3-5-7-13/h3-9,11H,10,12,21H2,1-2H3,(H,23,28,29).
What are the key properties of 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione has a molecular weight of 407.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[methyl-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 86796207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).