5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine

C13H20N6 — CID 56750244

IUPAC5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(-c2nccn2CCN(C)C)cn1
InChIInChI=1S/C13H20N6/c1-4-14-13-16-9-11(10-17-13)12-15-5-6-19(12)8-7-18(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,16,17)
InChIKeySHQKYQCEDFTIHF-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.33
Rot. Bonds6

About 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine

5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine (PubChem CID 56750244) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine
PubChem CID56750244
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(-c2nccn2CCN(C)C)cn1
InChIInChI=1S/C13H20N6/c1-4-14-13-16-9-11(10-17-13)12-15-5-6-19(12)8-7-18(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,16,17)
InChIKeySHQKYQCEDFTIHF-UHFFFAOYSA-N
XLogP1.33
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227319
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
4-Imidazol-1-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10824197
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 118725542
4-Imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130230
1-Ethyl-3-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134138382
1-Ethyl-3-(6-imidazol-1-ylpyrimidin-4-yl)thiourea
CID 134150613
1-Ethyl-3-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)thiourea
CID 134151972
1-Ethyl-3-(4-imidazol-1-ylpyrimidin-2-yl)thiourea
CID 134150693

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine (CID 56750244) is 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine is CCNc1ncc(-c2nccn2CCN(C)C)cn1.
What is the InChIKey of 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine?
The InChIKey is SHQKYQCEDFTIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-14-13-16-9-11(10-17-13)12-15-5-6-19(12)8-7-18(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,14,16,17).
What are the key properties of 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine?
5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine has a molecular weight of 260.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 56750244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).