2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine

C14H17N5 — CID 110270873

IUPAC2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine
SMILESCc1cc(N2CCCC2c2nccnc2C)ncn1
InChIInChI=1S/C14H17N5/c1-10-8-13(18-9-17-10)19-7-3-4-12(19)14-11(2)15-5-6-16-14/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyIATPHXQHWQTOHY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.22
Rot. Bonds2

About 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine

2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine (PubChem CID 110270873) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine
PubChem CID110270873
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine
SMILESCc1cc(N2CCCC2c2nccnc2C)ncn1
InChIInChI=1S/C14H17N5/c1-10-8-13(18-9-17-10)19-7-3-4-12(19)14-11(2)15-5-6-16-14/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyIATPHXQHWQTOHY-UHFFFAOYSA-N
XLogP2.22
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine (CID 110270873) is 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine is Cc1cc(N2CCCC2c2nccnc2C)ncn1.
What is the InChIKey of 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine?
The InChIKey is IATPHXQHWQTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-8-13(18-9-17-10)19-7-3-4-12(19)14-11(2)15-5-6-16-14/h5-6,8-9,12H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine?
2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine has a molecular weight of 255.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 110270873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).