1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine

C15H22N6 — CID 110117128

IUPAC1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccnc(C2CCCN2Cc2cnc[nH]2)n1
InChIInChI=1S/C15H22N6/c1-20(2)9-12-5-6-17-15(19-12)14-4-3-7-21(14)10-13-8-16-11-18-13/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3,(H,16,18)
InChIKeyDSVCLWFJZZECCD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine

1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 110117128) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
PubChem CID110117128
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccnc(C2CCCN2Cc2cnc[nH]2)n1
InChIInChI=1S/C15H22N6/c1-20(2)9-12-5-6-17-15(19-12)14-4-3-7-21(14)10-13-8-16-11-18-13/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3,(H,16,18)
InChIKeyDSVCLWFJZZECCD-UHFFFAOYSA-N
XLogP1.60
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124967170
1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 110117213
[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117162
N-[[4-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124965035
2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010299
2-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010300
1-[2-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124941723
N,N-dimethyl-1-[2-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117222
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 125013326
6-[(2S)-1-(1H-imidazol-5-ylmethyl)piperidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124979708
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine
CID 110116694

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine (CID 110117128) is 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccnc(C2CCCN2Cc2cnc[nH]2)n1.
What is the InChIKey of 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is DSVCLWFJZZECCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-20(2)9-12-5-6-17-15(19-12)14-4-3-7-21(14)10-13-8-16-11-18-13/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 286.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 110117128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).