3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine

C19H21N5 — CID 130178535

IUPAC3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine
SMILESCc1cc(Cc2nc(Cc3cncnc3C)cnc2C)cnc1C
InChIInChI=1S/C19H21N5/c1-12-5-16(8-21-13(12)2)6-19-15(4)22-10-18(24-19)7-17-9-20-11-23-14(17)3/h5,8-11H,6-7H2,1-4H3
InChIKeyUQGKFFBMNDEWBG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.08
Rot. Bonds4

About 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine

3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine (PubChem CID 130178535) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine.

Molecular Properties

Compound Name3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine
PubChem CID130178535
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine
SMILESCc1cc(Cc2nc(Cc3cncnc3C)cnc2C)cnc1C
InChIInChI=1S/C19H21N5/c1-12-5-16(8-21-13(12)2)6-19-15(4)22-10-18(24-19)7-17-9-20-11-23-14(17)3/h5,8-11H,6-7H2,1-4H3
InChIKeyUQGKFFBMNDEWBG-UHFFFAOYSA-N
XLogP3.08
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine?
The IUPAC name of 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine (CID 130178535) is 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine.
What is the SMILES notation for 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine?
The canonical SMILES for 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine is Cc1cc(Cc2nc(Cc3cncnc3C)cnc2C)cnc1C.
What is the InChIKey of 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine?
The InChIKey is UQGKFFBMNDEWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12-5-16(8-21-13(12)2)6-19-15(4)22-10-18(24-19)7-17-9-20-11-23-14(17)3/h5,8-11H,6-7H2,1-4H3.
What are the key properties of 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine?
3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine has a molecular weight of 319.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-3-pyridinyl)methyl]-2-methyl-5-[(4-methylpyrimidin-5-yl)methyl]pyrazine is sourced from PubChem (CID 130178535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).