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

C13H17N5 — CID 110254306

IUPAC4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
SMILESCn1ccnc1CN1CCCC1c1ccncn1
InChIInChI=1S/C13H17N5/c1-17-8-6-15-13(17)9-18-7-2-3-12(18)11-4-5-14-10-16-11/h4-6,8,10,12H,2-3,7,9H2,1H3
InChIKeyDEOKCSOYCYIXEP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.55
Rot. Bonds3

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

4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine (PubChem CID 110254306) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
PubChem CID110254306
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
SMILESCn1ccnc1CN1CCCC1c1ccncn1
InChIInChI=1S/C13H17N5/c1-17-8-6-15-13(17)9-18-7-2-3-12(18)11-4-5-14-10-16-11/h4-6,8,10,12H,2-3,7,9H2,1H3
InChIKeyDEOKCSOYCYIXEP-UHFFFAOYSA-N
XLogP1.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
CID 95730740
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
5-methyl-7-[(2R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine
CID 124952775
2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 51260690
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
2-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124975597
4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
CID 124971540
4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 125000486
N-[4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110097759

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine?
The IUPAC name of 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine (CID 110254306) is 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine is Cn1ccnc1CN1CCCC1c1ccncn1.
What is the InChIKey of 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine?
The InChIKey is DEOKCSOYCYIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-8-6-15-13(17)9-18-7-2-3-12(18)11-4-5-14-10-16-11/h4-6,8,10,12H,2-3,7,9H2,1H3.
What are the key properties of 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine?
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 110254306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).