2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine

C12H15N5 — CID 125013337

IUPAC2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cnc([C@@H]2CCN(c3ncccn3)C2)[nH]1
InChIInChI=1S/C12H15N5/c1-9-7-15-11(16-9)10-3-6-17(8-10)12-13-4-2-5-14-12/h2,4-5,7,10H,3,6,8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWEMPQGXGZMXSQN-SNVBAGLBSA-N
MW229.29 g/mol
LogP1.50
Rot. Bonds2

About 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine

2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 125013337) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID125013337
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cnc([C@@H]2CCN(c3ncccn3)C2)[nH]1
InChIInChI=1S/C12H15N5/c1-9-7-15-11(16-9)10-3-6-17(8-10)12-13-4-2-5-14-12/h2,4-5,7,10H,3,6,8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWEMPQGXGZMXSQN-SNVBAGLBSA-N
XLogP1.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine (CID 125013337) is 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine is Cc1cnc([C@@H]2CCN(c3ncccn3)C2)[nH]1.
What is the InChIKey of 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is WEMPQGXGZMXSQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N5/c1-9-7-15-11(16-9)10-3-6-17(8-10)12-13-4-2-5-14-12/h2,4-5,7,10H,3,6,8H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine?
2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 125013337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).