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

C14H17N5 — CID 118740019

IUPAC2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(C2CCN(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C14H17N5/c1-10-3-6-16-14(17-10)12-5-8-19(9-12)13-4-7-15-11(2)18-13/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyFLOMNCUTLGYLCI-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.88
Rot. Bonds2

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

2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 118740019) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID118740019
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(C2CCN(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C14H17N5/c1-10-3-6-16-14(17-10)12-5-8-19(9-12)13-4-7-15-11(2)18-13/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyFLOMNCUTLGYLCI-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine (CID 118740019) is 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine is Cc1ccnc(C2CCN(c3ccnc(C)n3)C2)n1.
What is the InChIKey of 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is FLOMNCUTLGYLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-3-6-16-14(17-10)12-5-8-19(9-12)13-4-7-15-11(2)18-13/h3-4,6-7,12H,5,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine?
2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 118740019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).