5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione

C13H14N6O2 — CID 70712238

IUPAC5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(NCCc2c[nH]c(=O)[nH]c2=O)n2nccc2n1
InChIInChI=1S/C13H14N6O2/c1-8-6-11(19-10(17-8)3-5-16-19)14-4-2-9-7-15-13(21)18-12(9)20/h3,5-7,14H,2,4H2,1H3,(H2,15,18,20,21)
InChIKeyVJBKUFJLGZMETD-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.07
Rot. Bonds4

About 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione

5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70712238) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID70712238
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(NCCc2c[nH]c(=O)[nH]c2=O)n2nccc2n1
InChIInChI=1S/C13H14N6O2/c1-8-6-11(19-10(17-8)3-5-16-19)14-4-2-9-7-15-13(21)18-12(9)20/h3,5-7,14H,2,4H2,1H3,(H2,15,18,20,21)
InChIKeyVJBKUFJLGZMETD-UHFFFAOYSA-N
XLogP0.07
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione (CID 70712238) is 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione is Cc1cc(NCCc2c[nH]c(=O)[nH]c2=O)n2nccc2n1.
What is the InChIKey of 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VJBKUFJLGZMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-8-6-11(19-10(17-8)3-5-16-19)14-4-2-9-7-15-13(21)18-12(9)20/h3,5-7,14H,2,4H2,1H3,(H2,15,18,20,21).
What are the key properties of 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione?
5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 286.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70712238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).