5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

C13H18N4 — CID 23910306

IUPAC5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CN3CCCC3)nc2n1
InChIInChI=1S/C13H18N4/c1-10-7-11(2)17-9-12(15-13(17)14-10)8-16-5-3-4-6-16/h7,9H,3-6,8H2,1-2H3
InChIKeyCKWFUXRFWOQMGC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.94
Rot. Bonds2

About 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 23910306) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID23910306
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CN3CCCC3)nc2n1
InChIInChI=1S/C13H18N4/c1-10-7-11(2)17-9-12(15-13(17)14-10)8-16-5-3-4-6-16/h7,9H,3-6,8H2,1-2H3
InChIKeyCKWFUXRFWOQMGC-UHFFFAOYSA-N
XLogP1.94
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 2998062
5,7-Dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 2999197
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
2-Tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183040
2-Tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183042
2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
US9096589, 5,7-Dimethyl-2-[(E)-2-(1-methyl-4-pyrazin-2-yl-1H-imidazol-2-yl)-vinyl]-imidazo[1,2-a]pyrimidine
CID 87327537
2-(Chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 693330
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
4-methyl-6-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 53565617
2-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 53566422

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (CID 23910306) is 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CN3CCCC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is CKWFUXRFWOQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-7-11(2)17-9-12(15-13(17)14-10)8-16-5-3-4-6-16/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 230.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 23910306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).