6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione

C12H14N8O2 — CID 4902145

IUPAC6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione
SMILESCn1c(N)c(Nc2ncnc3c2cnn3C)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N8O2/c1-18-8(13)7(11(21)19(2)12(18)22)17-9-6-4-16-20(3)10(6)15-5-14-9/h4-5H,13H2,1-3H3,(H,14,15,17)
InChIKeyGXPYDCKAAXUQQF-UHFFFAOYSA-N
MW302.30 g/mol
LogP-0.91
Rot. Bonds2

About 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione (PubChem CID 4902145) has the molecular formula C12H14N8O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione
PubChem CID4902145
Molecular FormulaC12H14N8O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione
SMILESCn1c(N)c(Nc2ncnc3c2cnn3C)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N8O2/c1-18-8(13)7(11(21)19(2)12(18)22)17-9-6-4-16-20(3)10(6)15-5-14-9/h4-5H,13H2,1-3H3,(H,14,15,17)
InChIKeyGXPYDCKAAXUQQF-UHFFFAOYSA-N
XLogP-0.91
TPSA125.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86808280
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110875096
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
CID 2809002
2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63194332
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine
CID 4975424
4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 693338
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione
CID 24585004
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione (CID 4902145) is 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione is Cn1c(N)c(Nc2ncnc3c2cnn3C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione?
The InChIKey is GXPYDCKAAXUQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O2/c1-18-8(13)7(11(21)19(2)12(18)22)17-9-6-4-16-20(3)10(6)15-5-14-9/h4-5H,13H2,1-3H3,(H,14,15,17).
What are the key properties of 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione has a molecular weight of 302.30 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 4902145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).