1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione

C16H19N7O2 — CID 146112918

IUPAC1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CC[C@@H](Nc3cccc4nncn34)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H19N7O2/c1-20-14(8-15(24)21(2)16(20)25)22-7-6-11(9-22)18-12-4-3-5-13-19-17-10-23(12)13/h3-5,8,10-11,18H,6-7,9H2,1-2H3/t11-/m1/s1
InChIKeyARFPKYNPFYWAEH-LLVKDONJSA-N
MW341.38 g/mol
LogP-0.18
Rot. Bonds3

About 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione (PubChem CID 146112918) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione
PubChem CID146112918
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CC[C@@H](Nc3cccc4nncn34)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H19N7O2/c1-20-14(8-15(24)21(2)16(20)25)22-7-6-11(9-22)18-12-4-3-5-13-19-17-10-23(12)13/h3-5,8,10-11,18H,6-7,9H2,1-2H3/t11-/m1/s1
InChIKeyARFPKYNPFYWAEH-LLVKDONJSA-N
XLogP-0.18
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione (CID 146112918) is 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione is Cn1c(N2CC[C@@H](Nc3cccc4nncn34)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is ARFPKYNPFYWAEH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-20-14(8-15(24)21(2)16(20)25)22-7-6-11(9-22)18-12-4-3-5-13-19-17-10-23(12)13/h3-5,8,10-11,18H,6-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 341.38 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-5-ylamino)pyrrolidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 146112918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).