2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine

C13H17N5 — CID 110104269

IUPAC2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCCC2c2ncc(C)[nH]2)n1
InChIInChI=1S/C13H17N5/c1-9-8-15-13(16-9)11-4-3-7-18(11)12-5-6-14-10(2)17-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyDMNLVLXVRTWZTK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds2

About 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine

2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 110104269) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID110104269
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCCC2c2ncc(C)[nH]2)n1
InChIInChI=1S/C13H17N5/c1-9-8-15-13(16-9)11-4-3-7-18(11)12-5-6-14-10(2)17-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyDMNLVLXVRTWZTK-UHFFFAOYSA-N
XLogP2.16
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine
CID 132775431
2-[(2R)-1-benzylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124978577
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124940784
2-chloro-3-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]benzonitrile
CID 141255090
N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110259040
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
2-[4-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
CID 138019357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine (CID 110104269) is 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine is Cc1nccc(N2CCCC2c2ncc(C)[nH]2)n1.
What is the InChIKey of 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is DMNLVLXVRTWZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-8-15-13(16-9)11-4-3-7-18(11)12-5-6-14-10(2)17-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine?
2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 110104269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).