4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine

C14H17N5 — CID 118740104

IUPAC4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(Cc3cnccn3)C2)ncn1
InChIInChI=1S/C14H17N5/c1-11-6-14(18-10-17-11)19-5-2-12(9-19)7-13-8-15-3-4-16-13/h3-4,6,8,10,12H,2,5,7,9H2,1H3
InChIKeyLHYJGGLOGOCJQD-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.64
Rot. Bonds3

About 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine

4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 118740104) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID118740104
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(Cc3cnccn3)C2)ncn1
InChIInChI=1S/C14H17N5/c1-11-6-14(18-10-17-11)19-5-2-12(9-19)7-13-8-15-3-4-16-13/h3-4,6,8,10,12H,2,5,7,9H2,1H3
InChIKeyLHYJGGLOGOCJQD-UHFFFAOYSA-N
XLogP1.64
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine (CID 118740104) is 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine is Cc1cc(N2CCC(Cc3cnccn3)C2)ncn1.
What is the InChIKey of 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is LHYJGGLOGOCJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-11-6-14(18-10-17-11)19-5-2-12(9-19)7-13-8-15-3-4-16-13/h3-4,6,8,10,12H,2,5,7,9H2,1H3.
What are the key properties of 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine?
4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 118740104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).