2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

C16H18N6O2 — CID 68805377

IUPAC2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCN(C)CCOc1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1
InChIInChI=1S/C16H18N6O2/c1-21(2)6-7-24-15-8-14(18-11-19-15)22-16(23)13(10-20-22)12-4-3-5-17-9-12/h3-5,8-11,20H,6-7H2,1-2H3
InChIKeyFEDLPDADOWFERE-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.96
Rot. Bonds6

About 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 68805377) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID68805377
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCN(C)CCOc1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1
InChIInChI=1S/C16H18N6O2/c1-21(2)6-7-24-15-8-14(18-11-19-15)22-16(23)13(10-20-22)12-4-3-5-17-9-12/h3-5,8-11,20H,6-7H2,1-2H3
InChIKeyFEDLPDADOWFERE-UHFFFAOYSA-N
XLogP0.96
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one (CID 68805377) is 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one is CN(C)CCOc1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1.
What is the InChIKey of 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is FEDLPDADOWFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21(2)6-7-24-15-8-14(18-11-19-15)22-16(23)13(10-20-22)12-4-3-5-17-9-12/h3-5,8-11,20H,6-7H2,1-2H3.
What are the key properties of 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 326.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 68805377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).