5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine

C15H16BrN5 — CID 139001898

IUPAC5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCn1c(C(C)Nc2ncncc2Br)nc2ccccc21
InChIInChI=1S/C15H16BrN5/c1-3-21-13-7-5-4-6-12(13)20-15(21)10(2)19-14-11(16)8-17-9-18-14/h4-10H,3H2,1-2H3,(H,17,18,19)
InChIKeyAVPDVXNVDKVTAV-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.78
Rot. Bonds4

About 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine

5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 139001898) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID139001898
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCn1c(C(C)Nc2ncncc2Br)nc2ccccc21
InChIInChI=1S/C15H16BrN5/c1-3-21-13-7-5-4-6-12(13)20-15(21)10(2)19-14-11(16)8-17-9-18-14/h4-10H,3H2,1-2H3,(H,17,18,19)
InChIKeyAVPDVXNVDKVTAV-UHFFFAOYSA-N
XLogP3.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133277326
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133277335
ethyl 4-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133277331
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133475431
6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 133277314
4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 60597747
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375402

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine (CID 139001898) is 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine is CCn1c(C(C)Nc2ncncc2Br)nc2ccccc21.
What is the InChIKey of 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is AVPDVXNVDKVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-3-21-13-7-5-4-6-12(13)20-15(21)10(2)19-14-11(16)8-17-9-18-14/h4-10H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine?
5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 346.23 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 139001898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).