3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

C14H15N5O2 — CID 118598955

IUPAC3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C14H15N5O2/c1-8-6-9(17-10-4-5-15-7-16-10)13(21)19-11(8)12(20)18-14(19,2)3/h4-7H,1-3H3,(H,18,20)(H,15,16,17)
InChIKeyJYJWZHLMBPNEJV-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.13
Rot. Bonds2

About 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598955) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598955
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C14H15N5O2/c1-8-6-9(17-10-4-5-15-7-16-10)13(21)19-11(8)12(20)18-14(19,2)3/h4-7H,1-3H3,(H,18,20)(H,15,16,17)
InChIKeyJYJWZHLMBPNEJV-UHFFFAOYSA-N
XLogP1.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598955) is 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C.
What is the InChIKey of 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is JYJWZHLMBPNEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-6-9(17-10-4-5-15-7-16-10)13(21)19-11(8)12(20)18-14(19,2)3/h4-7H,1-3H3,(H,18,20)(H,15,16,17).
What are the key properties of 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 285.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).