6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C20H29N7O3 — CID 87015774

IUPAC6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCCN(Cc1cnc2c(c1)c(C)nn2C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N7O3/c1-12(2)10-27-17(21)16(19(28)23-20(27)29)26(6-7-30-5)11-14-8-15-13(3)24-25(4)18(15)22-9-14/h8-9,12H,6-7,10-11,21H2,1-5H3,(H,23,28,29)
InChIKeyCFUNKBUDMGHGKP-UHFFFAOYSA-N
MW415.50 g/mol
LogP1.02
Rot. Bonds8

About 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 87015774) has the molecular formula C20H29N7O3 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID87015774
Molecular FormulaC20H29N7O3
Molecular Weight415.50 g/mol
Exact Mass415.23
IUPAC Name6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCCN(Cc1cnc2c(c1)c(C)nn2C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N7O3/c1-12(2)10-27-17(21)16(19(28)23-20(27)29)26(6-7-30-5)11-14-8-15-13(3)24-25(4)18(15)22-9-14/h8-9,12H,6-7,10-11,21H2,1-5H3,(H,23,28,29)
InChIKeyCFUNKBUDMGHGKP-UHFFFAOYSA-N
XLogP1.02
TPSA124.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 87015774) is 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is COCCN(Cc1cnc2c(c1)c(C)nn2C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is CFUNKBUDMGHGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O3/c1-12(2)10-27-17(21)16(19(28)23-20(27)29)26(6-7-30-5)11-14-8-15-13(3)24-25(4)18(15)22-9-14/h8-9,12H,6-7,10-11,21H2,1-5H3,(H,23,28,29).
What are the key properties of 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 415.50 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 87015774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).